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

C16H17ClFN — CID 114871542

IUPACN-[(3-chlorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
SMILESCCC(NCc1cccc(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C16H17ClFN/c1-2-16(13-6-4-8-15(18)10-13)19-11-12-5-3-7-14(17)9-12/h3-10,16,19H,2,11H2,1H3
InChIKeyLHSVPPKMKASFIV-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.72
Rot. Bonds5

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

N-[(3-chlorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine (PubChem CID 114871542) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
PubChem CID114871542
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC NameN-[(3-chlorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
SMILESCCC(NCc1cccc(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C16H17ClFN/c1-2-16(13-6-4-8-15(18)10-13)19-11-12-5-3-7-14(17)9-12/h3-10,16,19H,2,11H2,1H3
InChIKeyLHSVPPKMKASFIV-UHFFFAOYSA-N
XLogP4.72
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 ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-1-amine
CID 28970329
1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 81365780
1-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43181407
[4-[[1-(3-chlorophenyl)propylamino]methyl]phenyl]methanol
CID 103947369
5-[[1-(3-chlorophenyl)propylamino]methyl]-2-fluorobenzonitrile
CID 103913061
N-[(2-ethylphenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871625
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871438
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
1-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)propan-1-amine
CID 102909523
N-[1-(3-fluorophenyl)propyl]but-2-yn-1-amine
CID 114871834
1-(3-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]propan-1-amine
CID 114870966
N-[(3-chlorophenyl)methyl]-2-methylpentan-3-amine
CID 61468636

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine (CID 114871542) is N-[(3-chlorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine is CCC(NCc1cccc(Cl)c1)c1cccc(F)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine?
The InChIKey is LHSVPPKMKASFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-2-16(13-6-4-8-15(18)10-13)19-11-12-5-3-7-14(17)9-12/h3-10,16,19H,2,11H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine?
N-[(3-chlorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine has a molecular weight of 277.77 g/mol, XLogP of 4.72, 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-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 114871542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).