(1S)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine

C16H17BrFN — CID 103880970

IUPAC(1S)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
SMILESCc1ccc(F)c(CN[C@@H](C)c2ccccc2Br)c1
InChIInChI=1S/C16H17BrFN/c1-11-7-8-16(18)13(9-11)10-19-12(2)14-5-3-4-6-15(14)17/h3-9,12,19H,10H2,1-2H3/t12-/m0/s1
InChIKeyWTAGZQQSDWNTDD-LBPRGKRZSA-N
MW322.22 g/mol
LogP4.75
Rot. Bonds4

About (1S)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine

(1S)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine (PubChem CID 103880970) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is (1S)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
PubChem CID103880970
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name(1S)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
SMILESCc1ccc(F)c(CN[C@@H](C)c2ccccc2Br)c1
InChIInChI=1S/C16H17BrFN/c1-11-7-8-16(18)13(9-11)10-19-12(2)14-5-3-4-6-15(14)17/h3-9,12,19H,10H2,1-2H3/t12-/m0/s1
InChIKeyWTAGZQQSDWNTDD-LBPRGKRZSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103880955
N-[(2-fluoro-5-methylphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 143626004
(1S)-1-(2-bromophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 81383795
N-[(2-bromo-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 115556557
(1S)-1-(2-bromophenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 81384034
N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-bromophenyl)ethanamine
CID 43221213
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43225422
(1R)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 104979999
1-(2,4-dibromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 60781421
1-(2-bromophenyl)-N-[2-(2-fluorophenyl)ethyl]ethanamine
CID 43193148
(1R)-1-(2-bromophenyl)-N-[(3-chloro-2-fluorophenyl)methyl]ethanamine
CID 104930257
(1S)-1-(2-bromophenyl)-N-[(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 81383552

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine (CID 103880970) is (1S)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine is Cc1ccc(F)c(CN[C@@H](C)c2ccccc2Br)c1.
What is the InChIKey of (1S)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine?
The InChIKey is WTAGZQQSDWNTDD-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-11-7-8-16(18)13(9-11)10-19-12(2)14-5-3-4-6-15(14)17/h3-9,12,19H,10H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine?
(1S)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine has a molecular weight of 322.22 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 103880970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).