N-[[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]methyl]ethanamine

C16H24ClNO — CID 64748066

IUPACN-[[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1OC1CCC(C)CC1
InChIInChI=1S/C16H24ClNO/c1-3-18-11-13-10-14(17)6-9-16(13)19-15-7-4-12(2)5-8-15/h6,9-10,12,15,18H,3-5,7-8,11H2,1-2H3
InChIKeySVMBWSRAVMLHJS-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.41
Rot. Bonds5

About N-[[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]methyl]ethanamine

N-[[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]methyl]ethanamine (PubChem CID 64748066) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]methyl]ethanamine
PubChem CID64748066
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1OC1CCC(C)CC1
InChIInChI=1S/C16H24ClNO/c1-3-18-11-13-10-14(17)6-9-16(13)19-15-7-4-12(2)5-8-15/h6,9-10,12,15,18H,3-5,7-8,11H2,1-2H3
InChIKeySVMBWSRAVMLHJS-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]methyl]ethanamine 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

4-chloro-2-(chloromethyl)-1-(4-methylcyclohexyl)oxybenzene
CID 64748332
2-[(5-chloro-2-cyclopentyloxyphenyl)methylamino]ethanol
CID 111470408
N-[[5-methoxy-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-1-amine
CID 64748656
N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 114842332
N-[[5-chloro-2-(3-ethoxypropoxy)phenyl]methyl]ethanamine
CID 65175905
N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]ethanamine
CID 113223119
5-chloro-2-(4-methylcyclohexyl)oxyaniline
CID 43094022
N-[[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64739355
5-chloro-2-(4-methylcyclohexyl)oxybenzoic acid
CID 55138471
4-[(5-chloro-2-cyclopentyloxyphenyl)methylamino]-2,2-dimethylbutanoic acid
CID 122127005
N-[[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]methyl]ethanamine
CID 114855893
2-(bromomethyl)-4-chloro-1-(4-ethylcyclohexyl)oxybenzene
CID 64748532

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]methyl]ethanamine (CID 64748066) is N-[[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]methyl]ethanamine is CCNCc1cc(Cl)ccc1OC1CCC(C)CC1.
What is the InChIKey of N-[[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]methyl]ethanamine?
The InChIKey is SVMBWSRAVMLHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-3-18-11-13-10-14(17)6-9-16(13)19-15-7-4-12(2)5-8-15/h6,9-10,12,15,18H,3-5,7-8,11H2,1-2H3.
What are the key properties of N-[[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]methyl]ethanamine?
N-[[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]methyl]ethanamine has a molecular weight of 281.83 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]methyl]ethanamine is sourced from PubChem (CID 64748066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).