N-[(3,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine

C15H21Cl2N — CID 63456354

IUPACN-[(3,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(NCc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C15H21Cl2N/c1-2-11-3-5-15(6-4-11)18-10-12-7-13(16)9-14(17)8-12/h7-9,11,15,18H,2-6,10H2,1H3
InChIKeyVXTIGKHCXYNDQP-UHFFFAOYSA-N
MW286.25 g/mol
LogP5.05
Rot. Bonds4

About N-[(3,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine

N-[(3,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine (PubChem CID 63456354) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
PubChem CID63456354
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(NCc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C15H21Cl2N/c1-2-11-3-5-15(6-4-11)18-10-12-7-13(16)9-14(17)8-12/h7-9,11,15,18H,2-6,10H2,1H3
InChIKeyVXTIGKHCXYNDQP-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.25
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 60790274
N-[(3-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 114452769
N-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 65316024
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63454424
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63454425
4-ethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43078853
4-ethyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 63454429
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454771
4-[[(4-ethylcyclohexyl)amino]methyl]-2,6-dimethoxyphenol
CID 60957872
4-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]cyclohexan-1-amine
CID 63453712
N-[(3-chloro-5-methylphenyl)methyl]cyclobutanamine
CID 130727776
N-[(2,6-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454775

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine (CID 63456354) is N-[(3,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine is CCC1CCC(NCc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine?
The InChIKey is VXTIGKHCXYNDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-2-11-3-5-15(6-4-11)18-10-12-7-13(16)9-14(17)8-12/h7-9,11,15,18H,2-6,10H2,1H3.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine?
N-[(3,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine has a molecular weight of 286.25 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 63456354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).