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

C19H31N — CID 65091130

IUPACN-[2-(3-methylphenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
SMILESCc1cccc(CCNC2CCCC(C(C)C)CC2)c1
InChIInChI=1S/C19H31N/c1-15(2)18-8-5-9-19(11-10-18)20-13-12-17-7-4-6-16(3)14-17/h4,6-7,14-15,18-20H,5,8-13H2,1-3H3
InChIKeyKJADVNGDPJAQMQ-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.73
Rot. Bonds5

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

N-[2-(3-methylphenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine (PubChem CID 65091130) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
PubChem CID65091130
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[2-(3-methylphenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
SMILESCc1cccc(CCNC2CCCC(C(C)C)CC2)c1
InChIInChI=1S/C19H31N/c1-15(2)18-8-5-9-19(11-10-18)20-13-12-17-7-4-6-16(3)14-17/h4,6-7,14-15,18-20H,5,8-13H2,1-3H3
InChIKeyKJADVNGDPJAQMQ-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2-(3-methylphenyl)ethyl]-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

N-[2-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086258
N-[3-(3-methylphenyl)propyl]cyclobutanamine
CID 22492849
4-methyl-N-[2-(3-methylphenyl)ethyl]cyclohexan-1-amine
CID 62313168
N-[2-(3-methylphenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 63476591
3-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 64500281
N-(dicyclopropylmethyl)-2-(3-methylphenyl)ethanamine
CID 55062566
3-methyl-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 104859744
4-[2-(3-methylphenyl)ethylamino]azepan-2-one
CID 63887888
N-(3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65087459
3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 80705858
1-[4-[2-(3-methylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 55062758
N-cyclohexyl-2-[2-(3-methylphenyl)ethylamino]propanamide
CID 62313383

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine (CID 65091130) is N-[2-(3-methylphenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine is Cc1cccc(CCNC2CCCC(C(C)C)CC2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is KJADVNGDPJAQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-15(2)18-8-5-9-19(11-10-18)20-13-12-17-7-4-6-16(3)14-17/h4,6-7,14-15,18-20H,5,8-13H2,1-3H3.
What are the key properties of N-[2-(3-methylphenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine?
N-[2-(3-methylphenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65091130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).