N-[[2-[(4-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine

C18H27ClFN — CID 114862740

IUPACN-[[2-[(4-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(CC)CC1Cc1ccc(Cl)cc1F
InChIInChI=1S/C18H27ClFN/c1-3-13-5-6-15(12-21-4-2)16(9-13)10-14-7-8-17(19)11-18(14)20/h7-8,11,13,15-16,21H,3-6,9-10,12H2,1-2H3
InChIKeyJPIVXTJZIAELRV-UHFFFAOYSA-N
MW311.87 g/mol
LogP5.07
Rot. Bonds6

About N-[[2-[(4-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine

N-[[2-[(4-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine (PubChem CID 114862740) has the molecular formula C18H27ClFN and a molecular weight of 311.87 g/mol. Its IUPAC name is N-[[2-[(4-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(4-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
PubChem CID114862740
Molecular FormulaC18H27ClFN
Molecular Weight311.87 g/mol
Exact Mass311.18
IUPAC NameN-[[2-[(4-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(CC)CC1Cc1ccc(Cl)cc1F
InChIInChI=1S/C18H27ClFN/c1-3-13-5-6-15(12-21-4-2)16(9-13)10-14-7-8-17(19)11-18(14)20/h7-8,11,13,15-16,21H,3-6,9-10,12H2,1-2H3
InChIKeyJPIVXTJZIAELRV-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.87
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-[(4-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]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-[[2-[(4-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 114862675
N-[[2-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
CID 81029934
N-[[2-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017187
N-[[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017504
N-[[2-[(3,5-difluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
CID 105411527
N-[[2-[(2,4-dichlorophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 81028134
4-chloro-1-[(2-chloro-5-propylcyclohexyl)methyl]-2-fluorobenzene
CID 114857916
N-[[2-[(4-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]ethanamine
CID 81033024
2-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine
CID 103047226
N-[[2-[(3-chloro-4-fluorophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine
CID 103042349
N-[[4-ethyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]methyl]ethanamine
CID 81032468
N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 114842672

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(4-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine (CID 114862740) is N-[[2-[(4-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(4-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(4-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine is CCNCC1CCC(CC)CC1Cc1ccc(Cl)cc1F.
What is the InChIKey of N-[[2-[(4-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine?
The InChIKey is JPIVXTJZIAELRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClFN/c1-3-13-5-6-15(12-21-4-2)16(9-13)10-14-7-8-17(19)11-18(14)20/h7-8,11,13,15-16,21H,3-6,9-10,12H2,1-2H3.
What are the key properties of N-[[2-[(4-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine?
N-[[2-[(4-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine has a molecular weight of 311.87 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 114862740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).