4-ethyl-N-[1-(2-methoxyphenyl)propan-2-yl]cycloheptan-1-amine

C19H31NO — CID 65083104

IUPAC4-ethyl-N-[1-(2-methoxyphenyl)propan-2-yl]cycloheptan-1-amine
SMILESCCC1CCCC(NC(C)Cc2ccccc2OC)CC1
InChIInChI=1S/C19H31NO/c1-4-16-8-7-10-18(13-12-16)20-15(2)14-17-9-5-6-11-19(17)21-3/h5-6,9,11,15-16,18,20H,4,7-8,10,12-14H2,1-3H3
InChIKeyXDBVIPSEHCQAQN-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.57
Rot. Bonds6

About 4-ethyl-N-[1-(2-methoxyphenyl)propan-2-yl]cycloheptan-1-amine

4-ethyl-N-[1-(2-methoxyphenyl)propan-2-yl]cycloheptan-1-amine (PubChem CID 65083104) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 4-ethyl-N-[1-(2-methoxyphenyl)propan-2-yl]cycloheptan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-[1-(2-methoxyphenyl)propan-2-yl]cycloheptan-1-amine
PubChem CID65083104
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name4-ethyl-N-[1-(2-methoxyphenyl)propan-2-yl]cycloheptan-1-amine
SMILESCCC1CCCC(NC(C)Cc2ccccc2OC)CC1
InChIInChI=1S/C19H31NO/c1-4-16-8-7-10-18(13-12-16)20-15(2)14-17-9-5-6-11-19(17)21-3/h5-6,9,11,15-16,18,20H,4,7-8,10,12-14H2,1-3H3
InChIKeyXDBVIPSEHCQAQN-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-N-[1-(2-methoxyphenyl)propan-2-yl]cycloheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-methoxyphenyl)propan-2-yl]-4-methylcycloheptan-1-amine
CID 65079928
N-[1-(2-methoxyphenyl)propan-2-yl]-3-methylcyclopentan-1-amine
CID 64501539
1-cyclobutyl-N-[1-(2-methoxyphenyl)propan-2-yl]propan-2-amine
CID 115710215
N-[1-(2-methoxyphenyl)propan-2-yl]-2,3-dihydro-1H-inden-2-amine
CID 60935059
(3R)-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1,1-dioxothiolan-3-amine
CID 93318970
1-cyclobutyl-3-(2-methoxyphenyl)propan-2-ol
CID 65459253
3-ethyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclopentan-1-amine
CID 81397757
N-[1-(2-methoxyphenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine
CID 79859791
N-[2-(cyclopentylmethyl)-3-(2-methoxyphenyl)propyl]cyclopropanamine
CID 62514068
3-ethyl-N-[(2-methoxyphenyl)methyl]cyclopentan-1-amine
CID 64500368
4-ethyl-N-(2-methyl-1-phenylpropyl)cycloheptan-1-amine
CID 65083894
cyclopentyl-[(3S)-3-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone
CID 97323731

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-(2-methoxyphenyl)propan-2-yl]cycloheptan-1-amine?
The IUPAC name of 4-ethyl-N-[1-(2-methoxyphenyl)propan-2-yl]cycloheptan-1-amine (CID 65083104) is 4-ethyl-N-[1-(2-methoxyphenyl)propan-2-yl]cycloheptan-1-amine.
What is the SMILES notation for 4-ethyl-N-[1-(2-methoxyphenyl)propan-2-yl]cycloheptan-1-amine?
The canonical SMILES for 4-ethyl-N-[1-(2-methoxyphenyl)propan-2-yl]cycloheptan-1-amine is CCC1CCCC(NC(C)Cc2ccccc2OC)CC1.
What is the InChIKey of 4-ethyl-N-[1-(2-methoxyphenyl)propan-2-yl]cycloheptan-1-amine?
The InChIKey is XDBVIPSEHCQAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-16-8-7-10-18(13-12-16)20-15(2)14-17-9-5-6-11-19(17)21-3/h5-6,9,11,15-16,18,20H,4,7-8,10,12-14H2,1-3H3.
What are the key properties of 4-ethyl-N-[1-(2-methoxyphenyl)propan-2-yl]cycloheptan-1-amine?
4-ethyl-N-[1-(2-methoxyphenyl)propan-2-yl]cycloheptan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-(2-methoxyphenyl)propan-2-yl]cycloheptan-1-amine is sourced from PubChem (CID 65083104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).