1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine

C18H29N — CID 65086856

IUPAC1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
SMILESCc1cccc(CC2(N)CCCC(C(C)C)CC2)c1
InChIInChI=1S/C18H29N/c1-14(2)17-8-5-10-18(19,11-9-17)13-16-7-4-6-15(3)12-16/h4,6-7,12,14,17H,5,8-11,13,19H2,1-3H3
InChIKeyVDLKPKCAZDRWND-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.47
Rot. Bonds3

About 1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine

1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine (PubChem CID 65086856) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
PubChem CID65086856
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
SMILESCc1cccc(CC2(N)CCCC(C(C)C)CC2)c1
InChIInChI=1S/C18H29N/c1-14(2)17-8-5-10-18(19,11-9-17)13-16-7-4-6-15(3)12-16/h4,6-7,12,14,17H,5,8-11,13,19H2,1-3H3
InChIKeyVDLKPKCAZDRWND-UHFFFAOYSA-N
XLogP4.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-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

1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-ol
CID 65090870
1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107430142
1-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 23106077
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65086277
4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 60799490
3,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64733945
1-[(3-bromo-4-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086513
1-[(2-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086364
1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine
CID 65086951
1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448986
1-[(3-bromothiophen-2-yl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086657
1-[(2,5-dichlorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65316535

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of 1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine (CID 65086856) is 1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine is Cc1cccc(CC2(N)CCCC(C(C)C)CC2)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is VDLKPKCAZDRWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-14(2)17-8-5-10-18(19,11-9-17)13-16-7-4-6-15(3)12-16/h4,6-7,12,14,17H,5,8-11,13,19H2,1-3H3.
What are the key properties of 1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine?
1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65086856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).