(1S)-1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine

C17H20BrN — CID 81382647

IUPAC(1S)-1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
SMILESCc1ccccc1C(C)N[C@@H](C)c1cccc(Br)c1
InChIInChI=1S/C17H20BrN/c1-12-7-4-5-10-17(12)14(3)19-13(2)15-8-6-9-16(18)11-15/h4-11,13-14,19H,1-3H3/t13-,14?/m0/s1
InChIKeyNRIMXYZJWCEZNP-LSLKUGRBSA-N
MW318.26 g/mol
LogP5.17
Rot. Bonds4

About (1S)-1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine

(1S)-1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine (PubChem CID 81382647) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is (1S)-1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
PubChem CID81382647
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name(1S)-1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
SMILESCc1ccccc1C(C)N[C@@H](C)c1cccc(Br)c1
InChIInChI=1S/C17H20BrN/c1-12-7-4-5-10-17(12)14(3)19-13(2)15-8-6-9-16(18)11-15/h4-11,13-14,19H,1-3H3/t13-,14?/m0/s1
InChIKeyNRIMXYZJWCEZNP-LSLKUGRBSA-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

1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 43203219
2-[1-[[(1S)-1-(3-bromophenyl)ethyl]amino]ethyl]phenol
CID 81381845
(1S)-1-(3-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81381049
1-(4-bromophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine
CID 81373795
(1S)-1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81366290
1-(2,4-dibromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 81375703
(1R)-1-(3-methoxyphenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81376128
1-(3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 81374819
(1S)-1-(3-bromophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine
CID 81381142
1-(3-bromophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine
CID 43673332
(1R)-1-(3-bromophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 81371308
1-(3-bromophenyl)-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethanol
CID 81375499

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine?
The IUPAC name of (1S)-1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine (CID 81382647) is (1S)-1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine is Cc1ccccc1C(C)N[C@@H](C)c1cccc(Br)c1.
What is the InChIKey of (1S)-1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine?
The InChIKey is NRIMXYZJWCEZNP-LSLKUGRBSA-N. The full InChI is InChI=1S/C17H20BrN/c1-12-7-4-5-10-17(12)14(3)19-13(2)15-8-6-9-16(18)11-15/h4-11,13-14,19H,1-3H3/t13-,14?/m0/s1.
What are the key properties of (1S)-1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine?
(1S)-1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]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 (1S)-1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine is sourced from PubChem (CID 81382647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).