(1S)-1-(3-bromophenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine

C19H24BrN — CID 81382162

IUPAC(1S)-1-(3-bromophenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
SMILESCC(C)Cc1ccc(CN[C@@H](C)c2cccc(Br)c2)cc1
InChIInChI=1S/C19H24BrN/c1-14(2)11-16-7-9-17(10-8-16)13-21-15(3)18-5-4-6-19(20)12-18/h4-10,12,14-15,21H,11,13H2,1-3H3/t15-/m0/s1
InChIKeySFWQCHZHEUXZFV-HNNXBMFYSA-N
MW346.31 g/mol
LogP5.50
Rot. Bonds6

About (1S)-1-(3-bromophenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine

(1S)-1-(3-bromophenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine (PubChem CID 81382162) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is (1S)-1-(3-bromophenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-bromophenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
PubChem CID81382162
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC Name(1S)-1-(3-bromophenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
SMILESCC(C)Cc1ccc(CN[C@@H](C)c2cccc(Br)c2)cc1
InChIInChI=1S/C19H24BrN/c1-14(2)11-16-7-9-17(10-8-16)13-21-15(3)18-5-4-6-19(20)12-18/h4-10,12,14-15,21H,11,13H2,1-3H3/t15-/m0/s1
InChIKeySFWQCHZHEUXZFV-HNNXBMFYSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[[(1R)-1-(3-bromophenyl)ethyl]amino]methyl]phenol
CID 81381238
1-(3-bromophenyl)-N-[(3,4-dichlorophenyl)methyl]ethanamine
CID 43426655
4-[[1-(3-bromophenyl)ethylamino]methyl]benzenesulfonamide
CID 43096431
(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine
CID 81437241
1-(3-bromophenyl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62758584
1-(3-bromophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 43426685
N-[(3-bromophenyl)-[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 43488257
(1R)-1-(3-bromophenyl)-N-[(5-bromo-3-pyridinyl)methyl]ethanamine
CID 104797063
N-[(3-bromophenyl)methyl]-1-phenylethanamine
CID 2756844
(1S)-N-[(4-bromophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 28649443
(1S)-1-(3-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine
CID 28643531
N-[1-(3-bromophenyl)ethyl]-3-methylbutan-1-amine
CID 43193038

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-bromophenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine?
The IUPAC name of (1S)-1-(3-bromophenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine (CID 81382162) is (1S)-1-(3-bromophenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-bromophenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine?
The canonical SMILES for (1S)-1-(3-bromophenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine is CC(C)Cc1ccc(CN[C@@H](C)c2cccc(Br)c2)cc1.
What is the InChIKey of (1S)-1-(3-bromophenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine?
The InChIKey is SFWQCHZHEUXZFV-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-14(2)11-16-7-9-17(10-8-16)13-21-15(3)18-5-4-6-19(20)12-18/h4-10,12,14-15,21H,11,13H2,1-3H3/t15-/m0/s1.
What are the key properties of (1S)-1-(3-bromophenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine?
(1S)-1-(3-bromophenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine has a molecular weight of 346.31 g/mol, XLogP of 5.50, 6 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-[[4-(2-methylpropyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 81382162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).