1-[(1S,4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-methoxyphenyl)cyclohex-2-en-1-yl]-N,N-dimethylmethanamine

C23H26FNO — CID 10154956

IUPAC1-[(1S,4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-methoxyphenyl)cyclohex-2-en-1-yl]-N,N-dimethylmethanamine
SMILESCOc1cccc(C2=C/C(=C\c3ccc(F)cc3)CC[C@@H]2CN(C)C)c1
InChIInChI=1S/C23H26FNO/c1-25(2)16-20-10-7-18(13-17-8-11-21(24)12-9-17)14-23(20)19-5-4-6-22(15-19)26-3/h4-6,8-9,11-15,20H,7,10,16H2,1-3H3/b18-13-/t20-/m1/s1
InChIKeyXDYNHGYEFOZFNS-MTGKDYNDSA-N
MW351.47 g/mol
LogP5.27
Rot. Bonds5

About 1-[(1S,4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-methoxyphenyl)cyclohex-2-en-1-yl]-N,N-dimethylmethanamine

1-[(1S,4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-methoxyphenyl)cyclohex-2-en-1-yl]-N,N-dimethylmethanamine (PubChem CID 10154956) has the molecular formula C23H26FNO and a molecular weight of 351.47 g/mol. Its IUPAC name is 1-[(1S,4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-methoxyphenyl)cyclohex-2-en-1-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(1S,4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-methoxyphenyl)cyclohex-2-en-1-yl]-N,N-dimethylmethanamine
PubChem CID10154956
Molecular FormulaC23H26FNO
Molecular Weight351.47 g/mol
Exact Mass351.20
IUPAC Name1-[(1S,4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-methoxyphenyl)cyclohex-2-en-1-yl]-N,N-dimethylmethanamine
SMILESCOc1cccc(C2=C/C(=C\c3ccc(F)cc3)CC[C@@H]2CN(C)C)c1
InChIInChI=1S/C23H26FNO/c1-25(2)16-20-10-7-18(13-17-8-11-21(24)12-9-17)14-23(20)19-5-4-6-22(15-19)26-3/h4-6,8-9,11-15,20H,7,10,16H2,1-3H3/b18-13-/t20-/m1/s1
InChIKeyXDYNHGYEFOZFNS-MTGKDYNDSA-N
XLogP5.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4E)-4-[(4-fluorophenyl)methylidene]-2-(3-methoxyphenyl)cyclohex-2-en-1-yl]-N,N-dimethylmethanamine
CID 59059216
methyl 3-[(Z)-[(4S)-4-[(dimethylamino)methyl]-3-(3-methoxyphenyl)cyclohex-2-en-1-ylidene]methyl]benzoate
CID 10200480
2-methylpropyl 3-[(Z)-[4-[(dimethylamino)methyl]-3-(3-methoxyphenyl)cyclohex-2-en-1-ylidene]methyl]benzoate;hydrochloride
CID 142655731
(5Z)-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride
CID 6516823
(5Z)-2-[(dimethylamino)methyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride
CID 6516821
1-[(2S)-3-(3-methoxyphenyl)-2-bicyclo[3.2.1]oct-3-enyl]-N,N-dimethylmethanamine
CID 140615931
2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-ol
CID 69339709
(5E)-2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-ol
CID 22642597
2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
CID 69339801
(2S)-2-[(dimethylamino)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 70254705
4-[(E)-(4-fluorophenyl)methylideneamino]-3-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 6878402
N-[2-[(3S)-3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-methylcyclopropanecarboxamide
CID 93133590

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-methoxyphenyl)cyclohex-2-en-1-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(1S,4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-methoxyphenyl)cyclohex-2-en-1-yl]-N,N-dimethylmethanamine (CID 10154956) is 1-[(1S,4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-methoxyphenyl)cyclohex-2-en-1-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(1S,4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-methoxyphenyl)cyclohex-2-en-1-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(1S,4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-methoxyphenyl)cyclohex-2-en-1-yl]-N,N-dimethylmethanamine is COc1cccc(C2=C/C(=C\c3ccc(F)cc3)CC[C@@H]2CN(C)C)c1.
What is the InChIKey of 1-[(1S,4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-methoxyphenyl)cyclohex-2-en-1-yl]-N,N-dimethylmethanamine?
The InChIKey is XDYNHGYEFOZFNS-MTGKDYNDSA-N. The full InChI is InChI=1S/C23H26FNO/c1-25(2)16-20-10-7-18(13-17-8-11-21(24)12-9-17)14-23(20)19-5-4-6-22(15-19)26-3/h4-6,8-9,11-15,20H,7,10,16H2,1-3H3/b18-13-/t20-/m1/s1.
What are the key properties of 1-[(1S,4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-methoxyphenyl)cyclohex-2-en-1-yl]-N,N-dimethylmethanamine?
1-[(1S,4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-methoxyphenyl)cyclohex-2-en-1-yl]-N,N-dimethylmethanamine has a molecular weight of 351.47 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-methoxyphenyl)cyclohex-2-en-1-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 10154956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).