N-(chloromethyl)-1-(4-cyclohexylphenyl)-N-methylmethanamine

C15H22ClN — CID 115263158

IUPACN-(chloromethyl)-1-(4-cyclohexylphenyl)-N-methylmethanamine
SMILESCN(CCl)Cc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C15H22ClN/c1-17(12-16)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3
InChIKeyNHHMGUAHCAZXHD-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.36
Rot. Bonds4

About N-(chloromethyl)-1-(4-cyclohexylphenyl)-N-methylmethanamine

N-(chloromethyl)-1-(4-cyclohexylphenyl)-N-methylmethanamine (PubChem CID 115263158) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is N-(chloromethyl)-1-(4-cyclohexylphenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-(chloromethyl)-1-(4-cyclohexylphenyl)-N-methylmethanamine
PubChem CID115263158
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC NameN-(chloromethyl)-1-(4-cyclohexylphenyl)-N-methylmethanamine
SMILESCN(CCl)Cc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C15H22ClN/c1-17(12-16)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3
InChIKeyNHHMGUAHCAZXHD-UHFFFAOYSA-N
XLogP4.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-(chloromethyl)-1-(4-cyclohexylphenyl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-cyclohexylphenyl)ethyl-methylamino]methanethiol
CID 115228386
1-(chloromethyl)-4-cyclobutylbenzene
CID 57236902
1-(2-chloropropyl)-4-cyclohexylbenzene
CID 82255538
[1-[(4-cyclopentylphenyl)methyl-methylamino]cyclopropyl]methanol
CID 126813371
1-[(4-cyclohexylphenyl)methyl]-4-ethylpiperazine
CID 166366973
2-chloro-1-(4-cyclohexylphenyl)-N,N-dimethylethanamine
CID 116907408
(4-cyclohexylphenyl)methanamine
CID 22246867
1-cyclohexyl-4-(methylsulfanylmethyl)benzene
CID 59166778
N-(3-chloropropyl)-4-cyclohexyl-N-methylaniline
CID 115215489
1-(1-chloroprop-1-enoxymethyl)-4-cyclohexylbenzene
CID 91381160
[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] cyclohexanecarboxylate
CID 15347490
4-cyclopentyl-N,N-dimethylaniline
CID 54506338

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)-1-(4-cyclohexylphenyl)-N-methylmethanamine?
The IUPAC name of N-(chloromethyl)-1-(4-cyclohexylphenyl)-N-methylmethanamine (CID 115263158) is N-(chloromethyl)-1-(4-cyclohexylphenyl)-N-methylmethanamine.
What is the SMILES notation for N-(chloromethyl)-1-(4-cyclohexylphenyl)-N-methylmethanamine?
The canonical SMILES for N-(chloromethyl)-1-(4-cyclohexylphenyl)-N-methylmethanamine is CN(CCl)Cc1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-(chloromethyl)-1-(4-cyclohexylphenyl)-N-methylmethanamine?
The InChIKey is NHHMGUAHCAZXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-17(12-16)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3.
What are the key properties of N-(chloromethyl)-1-(4-cyclohexylphenyl)-N-methylmethanamine?
N-(chloromethyl)-1-(4-cyclohexylphenyl)-N-methylmethanamine has a molecular weight of 251.80 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-1-(4-cyclohexylphenyl)-N-methylmethanamine is sourced from PubChem (CID 115263158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).