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

C19H24BrN — CID 43488257

IUPACN-[(3-bromophenyl)-[4-(2-methylpropyl)phenyl]methyl]ethanamine
SMILESCCNC(c1ccc(CC(C)C)cc1)c1cccc(Br)c1
InChIInChI=1S/C19H24BrN/c1-4-21-19(17-6-5-7-18(20)13-17)16-10-8-15(9-11-16)12-14(2)3/h5-11,13-14,19,21H,4,12H2,1-3H3
InChIKeyJQXMXPLPKNFTJB-UHFFFAOYSA-N
MW346.31 g/mol
LogP5.35
Rot. Bonds6

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

N-[(3-bromophenyl)-[4-(2-methylpropyl)phenyl]methyl]ethanamine (PubChem CID 43488257) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is N-[(3-bromophenyl)-[4-(2-methylpropyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)-[4-(2-methylpropyl)phenyl]methyl]ethanamine
PubChem CID43488257
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC NameN-[(3-bromophenyl)-[4-(2-methylpropyl)phenyl]methyl]ethanamine
SMILESCCNC(c1ccc(CC(C)C)cc1)c1cccc(Br)c1
InChIInChI=1S/C19H24BrN/c1-4-21-19(17-6-5-7-18(20)13-17)16-10-8-15(9-11-16)12-14(2)3/h5-11,13-14,19,21H,4,12H2,1-3H3
InChIKeyJQXMXPLPKNFTJB-UHFFFAOYSA-N
XLogP5.35
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 ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3-bromophenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 81382162
N-[(3-bromo-4-fluorophenyl)-(3-bromophenyl)methyl]ethanamine
CID 79747194
1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine
CID 60819896
[(3-bromophenyl)-(4-propylphenyl)methyl]hydrazine
CID 105197895
N-[(3-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116543854
N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine
CID 54861187
N-[(3,5-dibromophenyl)-(4-ethylphenyl)methyl]ethanamine
CID 107974191
N-[(2-bromophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544140
N-[[4-(2-methylpropyl)phenyl]-thiophen-3-ylmethyl]ethanamine
CID 43488230
N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43488690
N-[(3-bromophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 63413138
1-(3-bromophenyl)-N-ethyl-2-methylpropan-1-amine
CID 60819212

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)-[4-(2-methylpropyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[(3-bromophenyl)-[4-(2-methylpropyl)phenyl]methyl]ethanamine (CID 43488257) is N-[(3-bromophenyl)-[4-(2-methylpropyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[(3-bromophenyl)-[4-(2-methylpropyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[(3-bromophenyl)-[4-(2-methylpropyl)phenyl]methyl]ethanamine is CCNC(c1ccc(CC(C)C)cc1)c1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)-[4-(2-methylpropyl)phenyl]methyl]ethanamine?
The InChIKey is JQXMXPLPKNFTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-4-21-19(17-6-5-7-18(20)13-17)16-10-8-15(9-11-16)12-14(2)3/h5-11,13-14,19,21H,4,12H2,1-3H3.
What are the key properties of N-[(3-bromophenyl)-[4-(2-methylpropyl)phenyl]methyl]ethanamine?
N-[(3-bromophenyl)-[4-(2-methylpropyl)phenyl]methyl]ethanamine has a molecular weight of 346.31 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)-[4-(2-methylpropyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 43488257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).