N-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine

C16H16Cl2FN — CID 63419716

IUPACN-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1Cl)c1ccc(F)cc1Cl
InChIInChI=1S/C16H16Cl2FN/c1-2-9-20-16(12-5-3-4-6-14(12)17)13-8-7-11(19)10-15(13)18/h3-8,10,16,20H,2,9H2,1H3
InChIKeyLMGKOPKYXRFYSV-UHFFFAOYSA-N
MW312.22 g/mol
LogP5.22
Rot. Bonds5

About N-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine

N-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine (PubChem CID 63419716) has the molecular formula C16H16Cl2FN and a molecular weight of 312.22 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine
PubChem CID63419716
Molecular FormulaC16H16Cl2FN
Molecular Weight312.22 g/mol
Exact Mass311.06
IUPAC NameN-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1Cl)c1ccc(F)cc1Cl
InChIInChI=1S/C16H16Cl2FN/c1-2-9-20-16(12-5-3-4-6-14(12)17)13-8-7-11(19)10-15(13)18/h3-8,10,16,20H,2,9H2,1H3
InChIKeyLMGKOPKYXRFYSV-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.22
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 43495680
N-[(2-chloro-4-fluorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63419671
N-[(2-chloro-4-fluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496133
N-[(2-chloro-5-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 105397127
N-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 43562132
N-[(2-chloro-4-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 106857172
N-[(4-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 105397412
N-[(2-chloro-5-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 105394631
N-[(2-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 106857492
N-[(2-chlorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine
CID 115801336
N-[(4-bromo-3-chloro-2-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 106762425
N-[(2-chloro-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine
CID 63949419

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine (CID 63419716) is N-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine is CCCNC(c1ccccc1Cl)c1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine?
The InChIKey is LMGKOPKYXRFYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FN/c1-2-9-20-16(12-5-3-4-6-14(12)17)13-8-7-11(19)10-15(13)18/h3-8,10,16,20H,2,9H2,1H3.
What are the key properties of N-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine?
N-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine has a molecular weight of 312.22 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 63419716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).