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

C16H16ClF2N — CID 43494667

IUPACN-[(4-chloro-2-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1)c1ccc(Cl)cc1F
InChIInChI=1S/C16H16ClF2N/c1-2-9-20-16(11-3-6-13(18)7-4-11)14-8-5-12(17)10-15(14)19/h3-8,10,16,20H,2,9H2,1H3
InChIKeyLUWRPJQWRXTFDH-UHFFFAOYSA-N
MW295.76 g/mol
LogP4.71
Rot. Bonds5

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

N-[(4-chloro-2-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine (PubChem CID 43494667) has the molecular formula C16H16ClF2N and a molecular weight of 295.76 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
PubChem CID43494667
Molecular FormulaC16H16ClF2N
Molecular Weight295.76 g/mol
Exact Mass295.09
IUPAC NameN-[(4-chloro-2-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1)c1ccc(Cl)cc1F
InChIInChI=1S/C16H16ClF2N/c1-2-9-20-16(11-3-6-13(18)7-4-11)14-8-5-12(17)10-15(14)19/h3-8,10,16,20H,2,9H2,1H3
InChIKeyLUWRPJQWRXTFDH-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.76
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-4-methylphenyl)-(4-chloro-2-fluorophenyl)methyl]propan-1-amine
CID 105022696
N-[(4-chlorophenyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302959
N-[(3-chloro-4-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 82874215
N-[(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63414114
N-[(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 43561563
N-[(4-chloro-2-fluorophenyl)-(5-chloro-2-methylphenyl)methyl]propan-1-amine
CID 105022481
N-[(2-chloro-4-fluorophenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63419672
N-[bis(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496293
N-[(2-chloro-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 105397398
N-[bis(4-fluorophenyl)methyl]propan-1-amine
CID 43389379
N-[(2-chloro-5-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 105397127
N-[(5-chloro-2-fluorophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 114886624

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine (CID 43494667) is N-[(4-chloro-2-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine is CCCNC(c1ccc(F)cc1)c1ccc(Cl)cc1F.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine?
The InChIKey is LUWRPJQWRXTFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N/c1-2-9-20-16(11-3-6-13(18)7-4-11)14-8-5-12(17)10-15(14)19/h3-8,10,16,20H,2,9H2,1H3.
What are the key properties of N-[(4-chloro-2-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine?
N-[(4-chloro-2-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine has a molecular weight of 295.76 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 43494667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).