2-(2-chloro-4-methylphenyl)-1-cyclohexylethanamine

C15H22ClN — CID 106866830

IUPAC2-(2-chloro-4-methylphenyl)-1-cyclohexylethanamine
SMILESCc1ccc(CC(N)C2CCCCC2)c(Cl)c1
InChIInChI=1S/C15H22ClN/c1-11-7-8-13(14(16)9-11)10-15(17)12-5-3-2-4-6-12/h7-9,12,15H,2-6,10,17H2,1H3
InChIKeyXRPZCKVIKMTOFU-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.10
Rot. Bonds3

About 2-(2-chloro-4-methylphenyl)-1-cyclohexylethanamine

2-(2-chloro-4-methylphenyl)-1-cyclohexylethanamine (PubChem CID 106866830) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-cyclohexylethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-cyclohexylethanamine
PubChem CID106866830
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name2-(2-chloro-4-methylphenyl)-1-cyclohexylethanamine
SMILESCc1ccc(CC(N)C2CCCCC2)c(Cl)c1
InChIInChI=1S/C15H22ClN/c1-11-7-8-13(14(16)9-11)10-15(17)12-5-3-2-4-6-12/h7-9,12,15H,2-6,10,17H2,1H3
InChIKeyXRPZCKVIKMTOFU-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-cyclopentylethanamine
CID 106866447
2-(2-chloro-4-methylphenyl)-1-cyclobutylethanamine
CID 106867704
2-(2-chloro-4-methylphenyl)-1-cyclobutyl-N-methylethanamine
CID 106866254
2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine
CID 106868280
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 80603088
2-(2-chloro-4-methylphenyl)-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 106867239
1-cyclopropyl-2-(2,4-dichlorophenyl)ethanamine
CID 62602404
N-[3-(2-chloro-4-methylphenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 106869656
(2-chloro-4-methylphenyl)-cycloheptylmethanamine
CID 106858433
2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65425532
1-(2-chloro-4-methylphenyl)-3-(oxan-2-yl)propan-2-amine
CID 106866342
N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106862588

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-cyclohexylethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-cyclohexylethanamine (CID 106866830) is 2-(2-chloro-4-methylphenyl)-1-cyclohexylethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-cyclohexylethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-cyclohexylethanamine is Cc1ccc(CC(N)C2CCCCC2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-cyclohexylethanamine?
The InChIKey is XRPZCKVIKMTOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-11-7-8-13(14(16)9-11)10-15(17)12-5-3-2-4-6-12/h7-9,12,15H,2-6,10,17H2,1H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-cyclohexylethanamine?
2-(2-chloro-4-methylphenyl)-1-cyclohexylethanamine has a molecular weight of 251.80 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-cyclohexylethanamine is sourced from PubChem (CID 106866830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).