N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

C19H29NO — CID 81368051

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCOc1ccc([C@H](C)NC2CC3CCC2(C)C3(C)C)cc1
InChIInChI=1S/C19H29NO/c1-13(14-6-8-16(21-5)9-7-14)20-17-12-15-10-11-19(17,4)18(15,2)3/h6-9,13,15,17,20H,10-12H2,1-5H3/t13-,15?,17?,19?/m0/s1
InChIKeyAIZUJFJEAJSBAW-YHHJOVQNSA-N
MW287.45 g/mol
LogP4.56
Rot. Bonds4

About N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 81368051) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID81368051
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCOc1ccc([C@H](C)NC2CC3CCC2(C)C3(C)C)cc1
InChIInChI=1S/C19H29NO/c1-13(14-6-8-16(21-5)9-7-14)20-17-12-15-10-11-19(17,4)18(15,2)3/h6-9,13,15,17,20H,10-12H2,1-5H3/t13-,15?,17?,19?/m0/s1
InChIKeyAIZUJFJEAJSBAW-YHHJOVQNSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine with MolForge

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 43683824
N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79857327
1,7,7-trimethyl-N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine
CID 43223472
(1R)-1,7,7-trimethyl-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 103894720
N-[1-(4-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine
CID 102952051
N-(2,4-dimethoxyphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 63418869
1,7,7-trimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 63990852
2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]cyclohexan-1-ol
CID 81371394
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 43781099
(4R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine
CID 118247870
1,7,7-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 115707288
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 81370541

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (CID 81368051) is N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is COc1ccc([C@H](C)NC2CC3CCC2(C)C3(C)C)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is AIZUJFJEAJSBAW-YHHJOVQNSA-N. The full InChI is InChI=1S/C19H29NO/c1-13(14-6-8-16(21-5)9-7-14)20-17-12-15-10-11-19(17,4)18(15,2)3/h6-9,13,15,17,20H,10-12H2,1-5H3/t13-,15?,17?,19?/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 81368051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).