N-[(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine

C18H28ClNO — CID 116769611

IUPACN-[(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C18H28ClNO/c1-5-20-16(14-6-8-15(19)9-7-14)18(21-4)12-10-17(2,3)11-13-18/h6-9,16,20H,5,10-13H2,1-4H3
InChIKeyIBPGWCTVWPTYPY-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.98
Rot. Bonds5

About N-[(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine

N-[(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine (PubChem CID 116769611) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
PubChem CID116769611
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC NameN-[(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C18H28ClNO/c1-5-20-16(14-6-8-15(19)9-7-14)18(21-4)12-10-17(2,3)11-13-18/h6-9,16,20H,5,10-13H2,1-4H3
InChIKeyIBPGWCTVWPTYPY-UHFFFAOYSA-N
XLogP4.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)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

N-[(4-chlorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 116714564
N-[(4-ethylphenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 116714561
N-[(2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116769648
N-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine
CID 104611192
[(4-chlorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105277877
(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755628
N-[(3,4-dichlorophenyl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 104611302
N-[(1-methoxy-4,4-dimethylcyclohexyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102834015
[(3-chloro-4-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 107562491
N-[(2,4-difluorophenyl)-(1-methoxycyclohexyl)methyl]ethanamine
CID 116763237
N-[(2-chloro-6-fluorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 114275214
N-[(1-ethoxy-4,4-dimethylcyclohexyl)-thiophen-3-ylmethyl]ethanamine
CID 116768863

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine (CID 116769611) is N-[(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine is CCNC(c1ccc(Cl)cc1)C1(OC)CCC(C)(C)CC1.
What is the InChIKey of N-[(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine?
The InChIKey is IBPGWCTVWPTYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-5-20-16(14-6-8-15(19)9-7-14)18(21-4)12-10-17(2,3)11-13-18/h6-9,16,20H,5,10-13H2,1-4H3.
What are the key properties of N-[(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine?
N-[(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine has a molecular weight of 309.88 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 116769611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).