N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine

C17H20BrN — CID 81382927

IUPACN-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(C)N[C@@H](C)c1ccccc1Br
InChIInChI=1S/C17H20BrN/c1-12-8-4-5-9-15(12)13(2)19-14(3)16-10-6-7-11-17(16)18/h4-11,13-14,19H,1-3H3/t13?,14-/m0/s1
InChIKeyZFOHTMVDUNOASD-KZUDCZAMSA-N
MW318.26 g/mol
LogP5.17
Rot. Bonds4

About N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine

N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine (PubChem CID 81382927) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
PubChem CID81382927
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC NameN-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(C)N[C@@H](C)c1ccccc1Br
InChIInChI=1S/C17H20BrN/c1-12-8-4-5-9-15(12)13(2)19-14(3)16-10-6-7-11-17(16)18/h4-11,13-14,19H,1-3H3/t13?,14-/m0/s1
InChIKeyZFOHTMVDUNOASD-KZUDCZAMSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.26
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81378592
1-(2,4-dibromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 81375703
(1S)-1-(2-bromophenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine
CID 81379135
1-(4-bromophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine
CID 81373795
(1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 81379784
N-[1-(2-bromophenyl)ethyl]-3-methylbutan-2-amine
CID 43131330
N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 104652135
(1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81375681
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylethanamine
CID 81383862
(1S)-1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81382647
1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 43203219
N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine
CID 81383230

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine (CID 81382927) is N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine is Cc1ccccc1C(C)N[C@@H](C)c1ccccc1Br.
What is the InChIKey of N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine?
The InChIKey is ZFOHTMVDUNOASD-KZUDCZAMSA-N. The full InChI is InChI=1S/C17H20BrN/c1-12-8-4-5-9-15(12)13(2)19-14(3)16-10-6-7-11-17(16)18/h4-11,13-14,19H,1-3H3/t13?,14-/m0/s1.
What are the key properties of N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine?
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine has a molecular weight of 318.26 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 81382927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).