N-[(4-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine

C18H18FNO — CID 175155779

IUPACN-[(4-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine
SMILESCOc1cc(F)ccc1CNC1C2Cc3ccccc3C21
InChIInChI=1S/C18H18FNO/c1-21-16-9-13(19)7-6-12(16)10-20-18-15-8-11-4-2-3-5-14(11)17(15)18/h2-7,9,15,17-18,20H,8,10H2,1H3
InChIKeySMXBDBGOEXVWHQ-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.26
Rot. Bonds4

About N-[(4-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine

N-[(4-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine (PubChem CID 175155779) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[(4-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine
PubChem CID175155779
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC NameN-[(4-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine
SMILESCOc1cc(F)ccc1CNC1C2Cc3ccccc3C21
InChIInChI=1S/C18H18FNO/c1-21-16-9-13(19)7-6-12(16)10-20-18-15-8-11-4-2-3-5-14(11)17(15)18/h2-7,9,15,17-18,20H,8,10H2,1H3
InChIKeySMXBDBGOEXVWHQ-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine
CID 175152441
N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2-methoxy-5-methylbenzenesulfonamide
CID 129403673
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 60817584
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 66394751
N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide
CID 75531349
(1R,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide
CID 67089068
1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-fluorophenyl]propan-2-amine
CID 107700921
N-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104791593
1-[(3-fluoro-4-methoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 71922621
1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-3-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-2-methylguanidine
CID 109445639
N-[(2-methoxyphenyl)methyl]adamantan-2-amine
CID 784414
(1R,2S)-1-[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 111114380

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine?
The IUPAC name of N-[(4-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine (CID 175155779) is N-[(4-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine.
What is the SMILES notation for N-[(4-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine?
The canonical SMILES for N-[(4-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine is COc1cc(F)ccc1CNC1C2Cc3ccccc3C21.
What is the InChIKey of N-[(4-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine?
The InChIKey is SMXBDBGOEXVWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-21-16-9-13(19)7-6-12(16)10-20-18-15-8-11-4-2-3-5-14(11)17(15)18/h2-7,9,15,17-18,20H,8,10H2,1H3.
What are the key properties of N-[(4-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine?
N-[(4-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine has a molecular weight of 283.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine is sourced from PubChem (CID 175155779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).