N-[(2-chloro-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine

C16H16ClF2N — CID 115982845

IUPACN-[(2-chloro-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCc1cccc(F)c1Cl
InChIInChI=1S/C16H16ClF2N/c1-11(9-12-5-7-14(18)8-6-12)20-10-13-3-2-4-15(19)16(13)17/h2-8,11,20H,9-10H2,1H3
InChIKeyCCWXFINTMZCOTH-UHFFFAOYSA-N
MW295.76 g/mol
LogP4.34
Rot. Bonds5

About N-[(2-chloro-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine

N-[(2-chloro-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine (PubChem CID 115982845) has the molecular formula C16H16ClF2N and a molecular weight of 295.76 g/mol. Its IUPAC name is N-[(2-chloro-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
PubChem CID115982845
Molecular FormulaC16H16ClF2N
Molecular Weight295.76 g/mol
Exact Mass295.09
IUPAC NameN-[(2-chloro-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCc1cccc(F)c1Cl
InChIInChI=1S/C16H16ClF2N/c1-11(9-12-5-7-14(18)8-6-12)20-10-13-3-2-4-15(19)16(13)17/h2-8,11,20H,9-10H2,1H3
InChIKeyCCWXFINTMZCOTH-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 63462744
1-chloro-N-[(2-chloro-3-fluorophenyl)methyl]propan-2-amine
CID 112654379
1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-2-amine
CID 43677587
3-[(2-chloro-3-fluorophenyl)methylamino]butan-1-ol
CID 112652236
N-[(2-chloro-3-fluorophenyl)methyl]-4,4,4-trifluorobutan-2-amine
CID 114130585
1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]propan-2-amine
CID 43696028
N-[(2-chloro-4-methylphenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 106862630
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
N-[(2-chloro-3-fluorophenyl)methyl]-2-methylpentan-3-amine
CID 112651923
(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 103954659
N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956826
1-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)propan-2-amine
CID 60958104

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine?
The IUPAC name of N-[(2-chloro-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine (CID 115982845) is N-[(2-chloro-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for N-[(2-chloro-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for N-[(2-chloro-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine is CC(Cc1ccc(F)cc1)NCc1cccc(F)c1Cl.
What is the InChIKey of N-[(2-chloro-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine?
The InChIKey is CCWXFINTMZCOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N/c1-11(9-12-5-7-14(18)8-6-12)20-10-13-3-2-4-15(19)16(13)17/h2-8,11,20H,9-10H2,1H3.
What are the key properties of N-[(2-chloro-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine?
N-[(2-chloro-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine has a molecular weight of 295.76 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 115982845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).