5-[(4-methoxyphenyl)methyl]-3-phenylcyclohex-3-en-1-amine

C20H23NO — CID 175741728

IUPAC5-[(4-methoxyphenyl)methyl]-3-phenylcyclohex-3-en-1-amine
SMILESCOc1ccc(CC2C=C(c3ccccc3)CC(N)C2)cc1
InChIInChI=1S/C20H23NO/c1-22-20-9-7-15(8-10-20)11-16-12-18(14-19(21)13-16)17-5-3-2-4-6-17/h2-10,12,16,19H,11,13-14,21H2,1H3
InChIKeyYZBJNYOHNCXKSQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.06
Rot. Bonds4

About 5-[(4-methoxyphenyl)methyl]-3-phenylcyclohex-3-en-1-amine

5-[(4-methoxyphenyl)methyl]-3-phenylcyclohex-3-en-1-amine (PubChem CID 175741728) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-3-phenylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-3-phenylcyclohex-3-en-1-amine
PubChem CID175741728
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name5-[(4-methoxyphenyl)methyl]-3-phenylcyclohex-3-en-1-amine
SMILESCOc1ccc(CC2C=C(c3ccccc3)CC(N)C2)cc1
InChIInChI=1S/C20H23NO/c1-22-20-9-7-15(8-10-20)11-16-12-18(14-19(21)13-16)17-5-3-2-4-6-17/h2-10,12,16,19H,11,13-14,21H2,1H3
InChIKeyYZBJNYOHNCXKSQ-UHFFFAOYSA-N
XLogP4.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-5-amino-3-phenylcyclohex-2-en-1-ol
CID 174581206
1-(3,5-diphenylcyclopent-2-en-1-yl)-4-methoxybenzene
CID 78120587
[3-(4-methoxyphenyl)cyclobut-2-en-1-yl]methanol
CID 135075425
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
(4-methoxyphenyl)methyl-[(4-phenylphenyl)methyl]azanium
CID 8636190
3-[(4-methoxyphenyl)methyl]azetidine
CID 16780470
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
3-(4-methoxyphenyl)sulfanylcyclobutan-1-amine
CID 117033267
1-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 101467069
(3S,4S)-4-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-6-phenyl-3,4-dihydropyran-2-one
CID 102194616
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-3-phenylcyclohex-3-en-1-amine?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-3-phenylcyclohex-3-en-1-amine (CID 175741728) is 5-[(4-methoxyphenyl)methyl]-3-phenylcyclohex-3-en-1-amine.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-3-phenylcyclohex-3-en-1-amine?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-3-phenylcyclohex-3-en-1-amine is COc1ccc(CC2C=C(c3ccccc3)CC(N)C2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-3-phenylcyclohex-3-en-1-amine?
The InChIKey is YZBJNYOHNCXKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-22-20-9-7-15(8-10-20)11-16-12-18(14-19(21)13-16)17-5-3-2-4-6-17/h2-10,12,16,19H,11,13-14,21H2,1H3.
What are the key properties of 5-[(4-methoxyphenyl)methyl]-3-phenylcyclohex-3-en-1-amine?
5-[(4-methoxyphenyl)methyl]-3-phenylcyclohex-3-en-1-amine has a molecular weight of 293.41 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-3-phenylcyclohex-3-en-1-amine is sourced from PubChem (CID 175741728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).