(2S)-2-(3-bromophenyl)-2-[(4-chlorophenyl)methyl]-3-fluoropropan-1-amine

C16H16BrClFN — CID 91389804

IUPAC(2S)-2-(3-bromophenyl)-2-[(4-chlorophenyl)methyl]-3-fluoropropan-1-amine
SMILESNC[C@](CF)(Cc1ccc(Cl)cc1)c1cccc(Br)c1
InChIInChI=1S/C16H16BrClFN/c17-14-3-1-2-13(8-14)16(10-19,11-20)9-12-4-6-15(18)7-5-12/h1-8H,9-11,20H2/t16-/m1/s1
InChIKeyNLVPLVGUZONKNK-MRXNPFEDSA-N
MW356.67 g/mol
LogP4.51
Rot. Bonds5

About (2S)-2-(3-bromophenyl)-2-[(4-chlorophenyl)methyl]-3-fluoropropan-1-amine

(2S)-2-(3-bromophenyl)-2-[(4-chlorophenyl)methyl]-3-fluoropropan-1-amine (PubChem CID 91389804) has the molecular formula C16H16BrClFN and a molecular weight of 356.67 g/mol. Its IUPAC name is (2S)-2-(3-bromophenyl)-2-[(4-chlorophenyl)methyl]-3-fluoropropan-1-amine.

Molecular Properties

Compound Name(2S)-2-(3-bromophenyl)-2-[(4-chlorophenyl)methyl]-3-fluoropropan-1-amine
PubChem CID91389804
Molecular FormulaC16H16BrClFN
Molecular Weight356.67 g/mol
Exact Mass355.01
IUPAC Name(2S)-2-(3-bromophenyl)-2-[(4-chlorophenyl)methyl]-3-fluoropropan-1-amine
SMILESNC[C@](CF)(Cc1ccc(Cl)cc1)c1cccc(Br)c1
InChIInChI=1S/C16H16BrClFN/c17-14-3-1-2-13(8-14)16(10-19,11-20)9-12-4-6-15(18)7-5-12/h1-8H,9-11,20H2/t16-/m1/s1
InChIKeyNLVPLVGUZONKNK-MRXNPFEDSA-N
XLogP4.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.67
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(4-Chloro-3-fluorophenyl)cyclohexyl]methanamine
CID 58954865
3-(3-Bromo-5-fluorophenyl)-4-(4-chlorophenyl)butan-2-amine
CID 22270718
1-[3-Azido-1-(4-chlorophenyl)butan-2-yl]-3-bromo-5-fluorobenzene
CID 57438718
4-(4-Bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidin-1-ium
CID 58302949
4-(4-Bromo-phenyl)-4-(4-chloro-3-fluoro-phenyl)-piperidine
CID 58302950
(2S)-3-(3-bromophenyl)-4-(4-chlorophenyl)-3-fluorobutan-2-amine
CID 59682348
(2R)-1-(3-bromo-4-fluorophenyl)-2-(4-chloro-3-methylphenyl)butan-1-amine
CID 67537218
3-(3-Bromo-4-chloro-2-fluorophenyl)-3-phenylazetidine
CID 178596251
2-(4-Chlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-1-amine
CID 24268553
2-(4-Chlorophenyl)-3-(4-fluorophenyl)-2-methylpropan-1-amine
CID 24268554
3-(4-Chlorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine
CID 24268702
3-(4-Chlorophenyl)-2-(3-fluorophenyl)-2-methylpropan-1-amine
CID 24268727

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-bromophenyl)-2-[(4-chlorophenyl)methyl]-3-fluoropropan-1-amine?
The IUPAC name of (2S)-2-(3-bromophenyl)-2-[(4-chlorophenyl)methyl]-3-fluoropropan-1-amine (CID 91389804) is (2S)-2-(3-bromophenyl)-2-[(4-chlorophenyl)methyl]-3-fluoropropan-1-amine.
What is the SMILES notation for (2S)-2-(3-bromophenyl)-2-[(4-chlorophenyl)methyl]-3-fluoropropan-1-amine?
The canonical SMILES for (2S)-2-(3-bromophenyl)-2-[(4-chlorophenyl)methyl]-3-fluoropropan-1-amine is NC[C@](CF)(Cc1ccc(Cl)cc1)c1cccc(Br)c1.
What is the InChIKey of (2S)-2-(3-bromophenyl)-2-[(4-chlorophenyl)methyl]-3-fluoropropan-1-amine?
The InChIKey is NLVPLVGUZONKNK-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16BrClFN/c17-14-3-1-2-13(8-14)16(10-19,11-20)9-12-4-6-15(18)7-5-12/h1-8H,9-11,20H2/t16-/m1/s1.
What are the key properties of (2S)-2-(3-bromophenyl)-2-[(4-chlorophenyl)methyl]-3-fluoropropan-1-amine?
(2S)-2-(3-bromophenyl)-2-[(4-chlorophenyl)methyl]-3-fluoropropan-1-amine has a molecular weight of 356.67 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-bromophenyl)-2-[(4-chlorophenyl)methyl]-3-fluoropropan-1-amine is sourced from PubChem (CID 91389804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).