3-(3-chloro-4-fluorophenyl)-2-methyl-1-phenylpropan-1-amine

C16H17ClFN — CID 103038667

IUPAC3-(3-chloro-4-fluorophenyl)-2-methyl-1-phenylpropan-1-amine
SMILESCC(Cc1ccc(F)c(Cl)c1)C(N)c1ccccc1
InChIInChI=1S/C16H17ClFN/c1-11(16(19)13-5-3-2-4-6-13)9-12-7-8-15(18)14(17)10-12/h2-8,10-11,16H,9,19H2,1H3
InChIKeyUMSWGGHYXIGVRD-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.36
Rot. Bonds4

About 3-(3-chloro-4-fluorophenyl)-2-methyl-1-phenylpropan-1-amine

3-(3-chloro-4-fluorophenyl)-2-methyl-1-phenylpropan-1-amine (PubChem CID 103038667) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-2-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-2-methyl-1-phenylpropan-1-amine
PubChem CID103038667
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name3-(3-chloro-4-fluorophenyl)-2-methyl-1-phenylpropan-1-amine
SMILESCC(Cc1ccc(F)c(Cl)c1)C(N)c1ccccc1
InChIInChI=1S/C16H17ClFN/c1-11(16(19)13-5-3-2-4-6-13)9-12-7-8-15(18)14(17)10-12/h2-8,10-11,16H,9,19H2,1H3
InChIKeyUMSWGGHYXIGVRD-UHFFFAOYSA-N
XLogP4.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-4-fluorophenyl)-1-phenylethanamine
CID 81144923
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
1-(3-chloro-4-fluorophenyl)butan-2-amine
CID 79020957
3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-amine
CID 114930765
3-(3-amino-2-methyl-3-phenylpropyl)phenol
CID 113460077
2-(3-chloro-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 103039768
3-[1-amino-2-(3-chloro-4-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 103043235
1-(3-chloro-4-fluorophenyl)pentan-2-amine
CID 103039784
2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 103039760
4-(3-chloro-4-fluorophenyl)-2-phenylbutan-1-amine
CID 103042297
1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 103040033
2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995842

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-2-methyl-1-phenylpropan-1-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-2-methyl-1-phenylpropan-1-amine (CID 103038667) is 3-(3-chloro-4-fluorophenyl)-2-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-2-methyl-1-phenylpropan-1-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-2-methyl-1-phenylpropan-1-amine is CC(Cc1ccc(F)c(Cl)c1)C(N)c1ccccc1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-2-methyl-1-phenylpropan-1-amine?
The InChIKey is UMSWGGHYXIGVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-11(16(19)13-5-3-2-4-6-13)9-12-7-8-15(18)14(17)10-12/h2-8,10-11,16H,9,19H2,1H3.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-2-methyl-1-phenylpropan-1-amine?
3-(3-chloro-4-fluorophenyl)-2-methyl-1-phenylpropan-1-amine has a molecular weight of 277.77 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-2-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 103038667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).