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'}

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Related Compounds

2-[4-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]-N-ethylethanamine
CID 105347717
N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine
CID 105346884
N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyridin-2-amine
CID 62208080
2-[4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenyl]acetohydrazide
CID 105351888
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylthiolan-3-amine
CID 105346911
N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 55072095
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346574
3-[4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76912098
2-(4-cyclopropylphenyl)-N-ethylethanamine
CID 79978257
2,6-difluoro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol
CID 82986680
N-ethyl-2-[4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]ethanamine
CID 105347684
cis-(1R,2S)-N,2-dimethyl-N-[[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine
CID 59989994

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).