2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethanamine

C15H22ClN — CID 106827634

IUPAC2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethanamine
SMILESCC1(C(N)Cc2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C15H22ClN/c1-15(8-3-2-4-9-15)14(17)11-12-6-5-7-13(16)10-12/h5-7,10,14H,2-4,8-9,11,17H2,1H3
InChIKeyHPXGSVFDXNLYIY-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.18
Rot. Bonds3

About 2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethanamine

2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethanamine (PubChem CID 106827634) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethanamine
PubChem CID106827634
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethanamine
SMILESCC1(C(N)Cc2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C15H22ClN/c1-15(8-3-2-4-9-15)14(17)11-12-6-5-7-13(16)10-12/h5-7,10,14H,2-4,8-9,11,17H2,1H3
InChIKeyHPXGSVFDXNLYIY-UHFFFAOYSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dichlorophenyl)-1-(1-methylcyclohexyl)ethanamine
CID 106827645
N-[2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 106827637
2-(3,4-dimethylphenyl)-1-(1-methylcyclohexyl)ethanamine
CID 106827638
2-(3,4-dimethoxyphenyl)-1-(1-methylcyclohexyl)ethanamine
CID 106827566
[2-(3-chlorophenyl)-1-(2,2-dimethylcyclohexyl)ethyl]hydrazine
CID 107193281
N-[2-(3-chlorophenyl)-1-(1-methoxycyclohexyl)ethyl]propan-1-amine
CID 116763420
1-[1-[(3-chlorophenyl)methyl]cyclopropyl]ethanamine
CID 82284005
2-(3-chlorophenyl)-1-cyclopentylethanamine
CID 60818439
[2-(3-chlorophenyl)-1-(1-ethoxycyclopentyl)ethyl]hydrazine
CID 105275871
[2-(3-chlorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105278104
3-amino-1-(3-chlorophenyl)butan-2-ol
CID 82397554
1-[(3-chlorophenyl)methyl]cycloheptan-1-ol
CID 60797404

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethanamine (CID 106827634) is 2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethanamine is CC1(C(N)Cc2cccc(Cl)c2)CCCCC1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethanamine?
The InChIKey is HPXGSVFDXNLYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-15(8-3-2-4-9-15)14(17)11-12-6-5-7-13(16)10-12/h5-7,10,14H,2-4,8-9,11,17H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethanamine?
2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethanamine has a molecular weight of 251.80 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethanamine is sourced from PubChem (CID 106827634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).