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

C16H23ClFN — CID 63454462

IUPACN-[(4-chloro-3-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C16H23ClFN/c1-2-3-12-4-7-14(8-5-12)19-11-13-6-9-15(17)16(18)10-13/h6,9-10,12,14,19H,2-5,7-8,11H2,1H3
InChIKeyKHQSPXIBJIUDEO-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.93
Rot. Bonds5

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

N-[(4-chloro-3-fluorophenyl)methyl]-4-propylcyclohexan-1-amine (PubChem CID 63454462) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)methyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
PubChem CID63454462
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC NameN-[(4-chloro-3-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C16H23ClFN/c1-2-3-12-4-7-14(8-5-12)19-11-13-6-9-15(17)16(18)10-13/h6,9-10,12,14,19H,2-5,7-8,11H2,1H3
InChIKeyKHQSPXIBJIUDEO-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

2-fluoro-5-[[(4-propylcyclohexyl)amino]methyl]benzonitrile
CID 107880140
N-[(3-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 114452769
N-[(4-chloro-3-fluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 113243621
3-chloro-N-[(4-chloro-3-fluorophenyl)methyl]cyclobutan-1-amine
CID 107887459
N-[(3-bromo-4-methylphenyl)methyl]-4-propylcyclohexan-1-amine
CID 105401447
N-[(4-chloro-3-fluorophenyl)methyl]-1-oxothian-4-amine
CID 113479791
4-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 54962641
2-(4-chloro-3-fluorophenyl)-1-(4-propylcyclohexyl)ethanone
CID 107883999
4-tert-butyl-N-[(3-chloro-4-fluorophenyl)methyl]cyclohexan-1-amine
CID 63476637
3-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 54962735
N-[(4-chloro-3-fluorophenyl)methyl]-N'-cyclopropylpropane-1,3-diamine
CID 114024463
4-propyl-N-[(4-trimethylsilylphenyl)methyl]cyclohexan-1-amine
CID 103437694

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-4-propylcyclohexan-1-amine?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-4-propylcyclohexan-1-amine (CID 63454462) is N-[(4-chloro-3-fluorophenyl)methyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)methyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)methyl]-4-propylcyclohexan-1-amine is CCCC1CCC(NCc2ccc(Cl)c(F)c2)CC1.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)methyl]-4-propylcyclohexan-1-amine?
The InChIKey is KHQSPXIBJIUDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-2-3-12-4-7-14(8-5-12)19-11-13-6-9-15(17)16(18)10-13/h6,9-10,12,14,19H,2-5,7-8,11H2,1H3.
What are the key properties of N-[(4-chloro-3-fluorophenyl)methyl]-4-propylcyclohexan-1-amine?
N-[(4-chloro-3-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-[(4-chloro-3-fluorophenyl)methyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 63454462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).