(1S)-1-cycloheptyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine

C19H31NO — CID 81390243

IUPAC(1S)-1-cycloheptyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCC(C)Oc1cccc(CN[C@@H](C)C2CCCCCC2)c1
InChIInChI=1S/C19H31NO/c1-15(2)21-19-12-8-9-17(13-19)14-20-16(3)18-10-6-4-5-7-11-18/h8-9,12-13,15-16,18,20H,4-7,10-11,14H2,1-3H3/t16-/m0/s1
InChIKeyXNWCNQBQTCPHHU-INIZCTEOSA-N
MW289.46 g/mol
LogP4.92
Rot. Bonds6

About (1S)-1-cycloheptyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine

(1S)-1-cycloheptyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 81390243) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is (1S)-1-cycloheptyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cycloheptyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID81390243
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name(1S)-1-cycloheptyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCC(C)Oc1cccc(CN[C@@H](C)C2CCCCCC2)c1
InChIInChI=1S/C19H31NO/c1-15(2)21-19-12-8-9-17(13-19)14-20-16(3)18-10-6-4-5-7-11-18/h8-9,12-13,15-16,18,20H,4-7,10-11,14H2,1-3H3/t16-/m0/s1
InChIKeyXNWCNQBQTCPHHU-INIZCTEOSA-N
XLogP4.92
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 ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-cycloheptyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine 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

1-cyclohexyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 63476778
(1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81394417
(1S)-1-cyclohexyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81387045
(1S)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81390552
(1R)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81392096
(1S)-1-cyclopentyl-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81386219
(1S)-1-cycloheptyl-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 81391460
(1S)-N-[(3-bromophenyl)methyl]-1-cycloheptylethanamine
CID 81388696
(1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81387900
(1S)-N-[(3-chlorophenyl)methyl]-1-cycloheptylethanamine
CID 81388927
(2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol
CID 114985581
N-[(3-bromophenyl)methyl]-1-cyclobutylethanamine
CID 115714631

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cycloheptyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-cycloheptyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine (CID 81390243) is (1S)-1-cycloheptyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cycloheptyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cycloheptyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine is CC(C)Oc1cccc(CN[C@@H](C)C2CCCCCC2)c1.
What is the InChIKey of (1S)-1-cycloheptyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is XNWCNQBQTCPHHU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H31NO/c1-15(2)21-19-12-8-9-17(13-19)14-20-16(3)18-10-6-4-5-7-11-18/h8-9,12-13,15-16,18,20H,4-7,10-11,14H2,1-3H3/t16-/m0/s1.
What are the key properties of (1S)-1-cycloheptyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine?
(1S)-1-cycloheptyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cycloheptyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 81390243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).