N-[(4-chloro-3-fluorophenyl)methyl]-1-cyclohexylmethanamine

C14H19ClFN — CID 63423058

IUPACN-[(4-chloro-3-fluorophenyl)methyl]-1-cyclohexylmethanamine
SMILESFc1cc(CNCC2CCCCC2)ccc1Cl
InChIInChI=1S/C14H19ClFN/c15-13-7-6-12(8-14(13)16)10-17-9-11-4-2-1-3-5-11/h6-8,11,17H,1-5,9-10H2
InChIKeyVRFSEYDWMLQHJV-UHFFFAOYSA-N
MW255.76 g/mol
LogP4.15
Rot. Bonds4

About N-[(4-chloro-3-fluorophenyl)methyl]-1-cyclohexylmethanamine

N-[(4-chloro-3-fluorophenyl)methyl]-1-cyclohexylmethanamine (PubChem CID 63423058) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)methyl]-1-cyclohexylmethanamine.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)methyl]-1-cyclohexylmethanamine
PubChem CID63423058
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC NameN-[(4-chloro-3-fluorophenyl)methyl]-1-cyclohexylmethanamine
SMILESFc1cc(CNCC2CCCCC2)ccc1Cl
InChIInChI=1S/C14H19ClFN/c15-13-7-6-12(8-14(13)16)10-17-9-11-4-2-1-3-5-11/h6-8,11,17H,1-5,9-10H2
InChIKeyVRFSEYDWMLQHJV-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

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Related Compounds

N-[(4-chloro-3-fluorophenyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411830
4-[(cyclohexylmethylamino)methyl]-2-fluorobenzoic acid
CID 106699700
N-[(3-chloro-4-methylphenyl)methyl]-1-cyclohexylmethanamine
CID 106816234
1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]methanamine
CID 60789647
1-(3-chlorocyclohexyl)-N-[(3-chloro-4-fluorophenyl)methyl]methanamine
CID 106122774
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43220454
N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclohexylmethanamine
CID 43215545
N-[(4-chloro-3-fluorophenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362843
1-cyclohexyl-N-[(2,3,6-trichlorophenyl)methyl]methanamine
CID 43234592
N-[(4-chloro-3-fluorophenyl)methyl]-N'-cyclopropylpropane-1,3-diamine
CID 114024463
N-[(3,4-dichlorophenyl)methyl]-1-(oxan-3-yl)methanamine
CID 54906440
4-[(cyclohexylmethylamino)methyl]aniline
CID 68506062

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-1-cyclohexylmethanamine?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-1-cyclohexylmethanamine (CID 63423058) is N-[(4-chloro-3-fluorophenyl)methyl]-1-cyclohexylmethanamine.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)methyl]-1-cyclohexylmethanamine?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)methyl]-1-cyclohexylmethanamine is Fc1cc(CNCC2CCCCC2)ccc1Cl.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)methyl]-1-cyclohexylmethanamine?
The InChIKey is VRFSEYDWMLQHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c15-13-7-6-12(8-14(13)16)10-17-9-11-4-2-1-3-5-11/h6-8,11,17H,1-5,9-10H2.
What are the key properties of N-[(4-chloro-3-fluorophenyl)methyl]-1-cyclohexylmethanamine?
N-[(4-chloro-3-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-[(4-chloro-3-fluorophenyl)methyl]-1-cyclohexylmethanamine is sourced from PubChem (CID 63423058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).