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

C16H17ClFN — CID 115592336

IUPACN-[(3-chlorophenyl)methyl]-1-(2-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccccc1F)NCc1cccc(Cl)c1
InChIInChI=1S/C16H17ClFN/c1-12(9-14-6-2-3-8-16(14)18)19-11-13-5-4-7-15(17)10-13/h2-8,10,12,19H,9,11H2,1H3
InChIKeyCNGLBPBIJNBYFF-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.20
Rot. Bonds5

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

N-[(3-chlorophenyl)methyl]-1-(2-fluorophenyl)propan-2-amine (PubChem CID 115592336) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-(2-fluorophenyl)propan-2-amine
PubChem CID115592336
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC NameN-[(3-chlorophenyl)methyl]-1-(2-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccccc1F)NCc1cccc(Cl)c1
InChIInChI=1S/C16H17ClFN/c1-12(9-14-6-2-3-8-16(14)18)19-11-13-5-4-7-15(17)10-13/h2-8,10,12,19H,9,11H2,1H3
InChIKeyCNGLBPBIJNBYFF-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 115592338
1-(3-chlorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63050519
1-chloro-N-[(3-chlorophenyl)methyl]propan-2-amine
CID 65025963
N-(1,3-benzodioxol-5-ylmethyl)-1-(2-fluorophenyl)propan-2-amine
CID 114828301
(2S)-2-N-[(3-chlorophenyl)methyl]propane-1,2-diamine
CID 104867783
4-[3-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenoxy]butanenitrile
CID 119109042
N-[(3-chlorophenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639887
N-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61222821
2-[[1-(2-chlorophenyl)propan-2-ylamino]methyl]-6-fluorophenol
CID 115951107
1-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)propan-2-amine
CID 43694798
N-[2-(3-chlorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 57156795
2-[[1-(3-chlorophenyl)propan-2-ylamino]methyl]-4-fluorophenol
CID 103948140

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-(2-fluorophenyl)propan-2-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-(2-fluorophenyl)propan-2-amine (CID 115592336) is N-[(3-chlorophenyl)methyl]-1-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-(2-fluorophenyl)propan-2-amine is CC(Cc1ccccc1F)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-(2-fluorophenyl)propan-2-amine?
The InChIKey is CNGLBPBIJNBYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-12(9-14-6-2-3-8-16(14)18)19-11-13-5-4-7-15(17)10-13/h2-8,10,12,19H,9,11H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-1-(2-fluorophenyl)propan-2-amine?
N-[(3-chlorophenyl)methyl]-1-(2-fluorophenyl)propan-2-amine has a molecular weight of 277.77 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 115592336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).