2-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-ethyl-5-methylcyclohexan-1-amine

C19H30ClN — CID 64766686

IUPAC2-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-ethyl-5-methylcyclohexan-1-amine
SMILESCCNC1CC(C)CCC1C(C)(C)Cc1ccccc1Cl
InChIInChI=1S/C19H30ClN/c1-5-21-18-12-14(2)10-11-16(18)19(3,4)13-15-8-6-7-9-17(15)20/h6-9,14,16,18,21H,5,10-13H2,1-4H3
InChIKeyVKAIVESZYYUWAI-UHFFFAOYSA-N
MW307.91 g/mol
LogP5.32
Rot. Bonds5

About 2-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-ethyl-5-methylcyclohexan-1-amine

2-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-ethyl-5-methylcyclohexan-1-amine (PubChem CID 64766686) has the molecular formula C19H30ClN and a molecular weight of 307.91 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-ethyl-5-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-ethyl-5-methylcyclohexan-1-amine
PubChem CID64766686
Molecular FormulaC19H30ClN
Molecular Weight307.91 g/mol
Exact Mass307.21
IUPAC Name2-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-ethyl-5-methylcyclohexan-1-amine
SMILESCCNC1CC(C)CCC1C(C)(C)Cc1ccccc1Cl
InChIInChI=1S/C19H30ClN/c1-5-21-18-12-14(2)10-11-16(18)19(3,4)13-15-8-6-7-9-17(15)20/h6-9,14,16,18,21H,5,10-13H2,1-4H3
InChIKeyVKAIVESZYYUWAI-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.91
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-amine
CID 64767394
N-ethyl-5-methyl-2-[2-(4-methylphenyl)propan-2-yl]cyclohexan-1-amine
CID 64767391
2-[(3-chloro-2-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 102856558
N-[2-[(2-chlorophenyl)methyl]-2-methylbutyl]cyclopropanamine
CID 62718301
2-[1-(4-ethylphenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine
CID 64764067
3-[2-[2-(ethylamino)-4-methylcyclohexyl]propan-2-yl]pyridin-2-amine
CID 64767305
2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-1,3-dichlorobenzene
CID 64767524
N-[(2-chlorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397679
N-ethyl-5-methyl-2-[2-methyl-4-(1-methylpyrazol-4-yl)butan-2-yl]cyclohexan-1-amine
CID 103015974
2-[1-(2-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
CID 64765003
N-ethyl-5-methyl-2-[2-(oxolan-3-yl)propan-2-yl]cyclohexan-1-amine
CID 64766683
1-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-2-chloro-3-fluorobenzene
CID 115984393

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-ethyl-5-methylcyclohexan-1-amine?
The IUPAC name of 2-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-ethyl-5-methylcyclohexan-1-amine (CID 64766686) is 2-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-ethyl-5-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-ethyl-5-methylcyclohexan-1-amine?
The canonical SMILES for 2-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-ethyl-5-methylcyclohexan-1-amine is CCNC1CC(C)CCC1C(C)(C)Cc1ccccc1Cl.
What is the InChIKey of 2-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-ethyl-5-methylcyclohexan-1-amine?
The InChIKey is VKAIVESZYYUWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN/c1-5-21-18-12-14(2)10-11-16(18)19(3,4)13-15-8-6-7-9-17(15)20/h6-9,14,16,18,21H,5,10-13H2,1-4H3.
What are the key properties of 2-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-ethyl-5-methylcyclohexan-1-amine?
2-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-ethyl-5-methylcyclohexan-1-amine has a molecular weight of 307.91 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-ethyl-5-methylcyclohexan-1-amine is sourced from PubChem (CID 64766686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).