N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclohexylmethanamine

C14H19ClFN — CID 43215545

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-1-cyclohexylmethanamine
SMILESFc1cccc(Cl)c1CNCC1CCCCC1
InChIInChI=1S/C14H19ClFN/c15-13-7-4-8-14(16)12(13)10-17-9-11-5-2-1-3-6-11/h4,7-8,11,17H,1-3,5-6,9-10H2
InChIKeyRVLQYMVDAJUNLS-UHFFFAOYSA-N
MW255.76 g/mol
LogP4.15
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclohexylmethanamine

N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclohexylmethanamine (PubChem CID 43215545) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclohexylmethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-1-cyclohexylmethanamine
PubChem CID43215545
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-1-cyclohexylmethanamine
SMILESFc1cccc(Cl)c1CNCC1CCCCC1
InChIInChI=1S/C14H19ClFN/c15-13-7-4-8-14(16)12(13)10-17-9-11-5-2-1-3-6-11/h4,7-8,11,17H,1-3,5-6,9-10H2
InChIKeyRVLQYMVDAJUNLS-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclohexylmethanamine 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

1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]methanamine
CID 43370931
N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine
CID 46231607
N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine
CID 4720325
N-[(2-chloro-6-fluorophenyl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 61011641
1-cyclohexyl-N-[(2,3,6-trichlorophenyl)methyl]methanamine
CID 43234592
N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine;hexahydrochloride
CID 90664483
N-[(2-chloro-6-fluorophenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 834224
N-[(4-chloro-3-fluorophenyl)methyl]-1-cyclohexylmethanamine
CID 63423058
N-[(2-chloro-6-fluorophenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129474044
2-[[(2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 64926870
1-chloro-2-(2-chloro-3-cyclohexylpropyl)-3-fluorobenzene
CID 63517970
N-[(2-chloro-6-nitrophenyl)methyl]-1-cyclobutylmethanamine
CID 63746985

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclohexylmethanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclohexylmethanamine (CID 43215545) is N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclohexylmethanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclohexylmethanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclohexylmethanamine is Fc1cccc(Cl)c1CNCC1CCCCC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclohexylmethanamine?
The InChIKey is RVLQYMVDAJUNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c15-13-7-4-8-14(16)12(13)10-17-9-11-5-2-1-3-6-11/h4,7-8,11,17H,1-3,5-6,9-10H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclohexylmethanamine?
N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclohexylmethanamine has a molecular weight of 255.76 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclohexylmethanamine is sourced from PubChem (CID 43215545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).