N-[(3-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine

C16H23ClFN — CID 114452769

IUPACN-[(3-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCc2cc(F)cc(Cl)c2)CC1
InChIInChI=1S/C16H23ClFN/c1-2-3-12-4-6-16(7-5-12)19-11-13-8-14(17)10-15(18)9-13/h8-10,12,16,19H,2-7,11H2,1H3
InChIKeyFBBXWKJBSUADJL-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.93
Rot. Bonds5

About N-[(3-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine

N-[(3-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine (PubChem CID 114452769) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is N-[(3-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
PubChem CID114452769
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC NameN-[(3-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCc2cc(F)cc(Cl)c2)CC1
InChIInChI=1S/C16H23ClFN/c1-2-3-12-4-6-16(7-5-12)19-11-13-8-14(17)10-15(18)9-13/h8-10,12,16,19H,2-7,11H2,1H3
InChIKeyFBBXWKJBSUADJL-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63456354
3-chloro-5-fluoro-N-(4-propylcyclohexyl)aniline
CID 107364276
1-tert-butyl-N-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-amine
CID 114452693
N-[(4-chloro-3-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63454462
N-[(3,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 60790274
N-[[3-fluoro-5-(3-propylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106533016
N-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63452721
N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 114452932
2-fluoro-5-[[(4-propylcyclohexyl)amino]methyl]benzonitrile
CID 107880140
N-[(3-chloro-5-fluorophenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 114452947
N-[(3-chloro-5-fluorophenyl)methyl]-2,2-dimethyloxan-4-amine
CID 114453071
4-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 54962641

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine?
The IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine (CID 114452769) is N-[(3-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-[(3-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for N-[(3-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine is CCCC1CCC(NCc2cc(F)cc(Cl)c2)CC1.
What is the InChIKey of N-[(3-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine?
The InChIKey is FBBXWKJBSUADJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-2-3-12-4-6-16(7-5-12)19-11-13-8-14(17)10-15(18)9-13/h8-10,12,16,19H,2-7,11H2,1H3.
What are the key properties of N-[(3-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine?
N-[(3-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine has a molecular weight of 283.82 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 114452769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).