(1S)-N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)ethanamine

C16H18BrN — CID 81349778

IUPAC(1S)-N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@H](C)NCc2cccc(Br)c2)cc1
InChIInChI=1S/C16H18BrN/c1-12-6-8-15(9-7-12)13(2)18-11-14-4-3-5-16(17)10-14/h3-10,13,18H,11H2,1-2H3/t13-/m0/s1
InChIKeyNIAWMOZZMPPMEZ-ZDUSSCGKSA-N
MW304.23 g/mol
LogP4.61
Rot. Bonds4

About (1S)-N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)ethanamine

(1S)-N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)ethanamine (PubChem CID 81349778) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is (1S)-N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)ethanamine
PubChem CID81349778
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC Name(1S)-N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@H](C)NCc2cccc(Br)c2)cc1
InChIInChI=1S/C16H18BrN/c1-12-6-8-15(9-7-12)13(2)18-11-14-4-3-5-16(17)10-14/h3-10,13,18H,11H2,1-2H3/t13-/m0/s1
InChIKeyNIAWMOZZMPPMEZ-ZDUSSCGKSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromophenyl)methyl]-1-phenylethanamine
CID 2756844
(1R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28645148
1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43181981
N-[(3-bromophenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43221580
1-(3-bromo-4-fluorophenyl)-N-[(3-bromophenyl)methyl]ethanamine
CID 61401322
N-[(3-bromo-5-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 79710852
(1S)-N-[(3-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356483
(1R)-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81347473
[3-[[1-(4-bromophenyl)ethylamino]methyl]phenyl]methanol
CID 103729618
(1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348754
(3R)-3-[(3-bromophenyl)methylamino]-3-(4-methylphenyl)propanoic acid
CID 97342516
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348826

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)ethanamine (CID 81349778) is (1S)-N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)ethanamine is Cc1ccc([C@H](C)NCc2cccc(Br)c2)cc1.
What is the InChIKey of (1S)-N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is NIAWMOZZMPPMEZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18BrN/c1-12-6-8-15(9-7-12)13(2)18-11-14-4-3-5-16(17)10-14/h3-10,13,18H,11H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)ethanamine?
(1S)-N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)ethanamine has a molecular weight of 304.23 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 81349778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).