N-[[1-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine

C18H27ClFN — CID 103049689

IUPACN-[[1-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(Cc2cc(Cl)ccc2F)CCCCC1
InChIInChI=1S/C18H27ClFN/c1-17(2,3)21-13-18(9-5-4-6-10-18)12-14-11-15(19)7-8-16(14)20/h7-8,11,21H,4-6,9-10,12-13H2,1-3H3
InChIKeyKCGHIUUIGOKAHT-UHFFFAOYSA-N
MW311.87 g/mol
LogP5.36
Rot. Bonds4

About N-[[1-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine

N-[[1-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 103049689) has the molecular formula C18H27ClFN and a molecular weight of 311.87 g/mol. Its IUPAC name is N-[[1-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID103049689
Molecular FormulaC18H27ClFN
Molecular Weight311.87 g/mol
Exact Mass311.18
IUPAC NameN-[[1-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(Cc2cc(Cl)ccc2F)CCCCC1
InChIInChI=1S/C18H27ClFN/c1-17(2,3)21-13-18(9-5-4-6-10-18)12-14-11-15(19)7-8-16(14)20/h7-8,11,21H,4-6,9-10,12-13H2,1-3H3
InChIKeyKCGHIUUIGOKAHT-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.87
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[1-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine 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-[[1-[(5-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 63509584
N-[[1-[(4-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 63508363
N-[[1-[(5-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 103049761
N-[[1-[(4-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 114858583
2-methyl-N-[[1-[(2-methylphenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 63509068
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
CID 102859004
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 60984555
1-[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 55194513
N-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 62725796
N-[[1-[(3-bromophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63507661
[3-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 103051183
[1-[(4-chloro-2-fluorophenyl)methyl]cycloheptyl]methanamine
CID 114861566

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine (CID 103049689) is N-[[1-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(Cc2cc(Cl)ccc2F)CCCCC1.
What is the InChIKey of N-[[1-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is KCGHIUUIGOKAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClFN/c1-17(2,3)21-13-18(9-5-4-6-10-18)12-14-11-15(19)7-8-16(14)20/h7-8,11,21H,4-6,9-10,12-13H2,1-3H3.
What are the key properties of N-[[1-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[1-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 311.87 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103049689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).