N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylcyclohexan-1-amine

C19H32N2 — CID 105347488

IUPACN-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCCNCCc1ccc(CN(C)C2CCCCC2C)cc1
InChIInChI=1S/C19H32N2/c1-4-20-14-13-17-9-11-18(12-10-17)15-21(3)19-8-6-5-7-16(19)2/h9-12,16,19-20H,4-8,13-15H2,1-3H3
InChIKeyKKZWNTRKGWNAGS-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.85
Rot. Bonds7

About N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylcyclohexan-1-amine

N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylcyclohexan-1-amine (PubChem CID 105347488) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylcyclohexan-1-amine
PubChem CID105347488
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCCNCCc1ccc(CN(C)C2CCCCC2C)cc1
InChIInChI=1S/C19H32N2/c1-4-20-14-13-17-9-11-18(12-10-17)15-21(3)19-8-6-5-7-16(19)2/h9-12,16,19-20H,4-8,13-15H2,1-3H3
InChIKeyKKZWNTRKGWNAGS-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylcyclohexan-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

Benzphetamine
CID 5311017
Plerixafor
CID 65015
Fendiline
CID 3336
N-Benzylphenethylamine
CID 65055
N-ethyl-1-phenylcyclohexanamine
CID 16622
Benzfetamine
CID 2341
Fendiline Hydrochloride
CID 5702162
Benzhydrylpiperazine
CID 70048
Isopropylbenzylamine
CID 66024
Norbenzphetamine
CID 102554
Amphetaminil
CID 28615
N-Benzylamphetamine
CID 10149140

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylcyclohexan-1-amine (CID 105347488) is N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylcyclohexan-1-amine is CCNCCc1ccc(CN(C)C2CCCCC2C)cc1.
What is the InChIKey of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylcyclohexan-1-amine?
The InChIKey is KKZWNTRKGWNAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-20-14-13-17-9-11-18(12-10-17)15-21(3)19-8-6-5-7-16(19)2/h9-12,16,19-20H,4-8,13-15H2,1-3H3.
What are the key properties of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylcyclohexan-1-amine?
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylcyclohexan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 105347488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).