1-N-[(3-bromophenyl)methyl]-1-N-methyl-2-phenylpropane-1,2-diamine

C17H21BrN2 — CID 62487226

IUPAC1-N-[(3-bromophenyl)methyl]-1-N-methyl-2-phenylpropane-1,2-diamine
SMILESCN(Cc1cccc(Br)c1)CC(C)(N)c1ccccc1
InChIInChI=1S/C17H21BrN2/c1-17(19,15-8-4-3-5-9-15)13-20(2)12-14-7-6-10-16(18)11-14/h3-11H,12-13,19H2,1-2H3
InChIKeyQRIFQAUHXRIZLT-UHFFFAOYSA-N
MW333.27 g/mol
LogP3.76
Rot. Bonds5

About 1-N-[(3-bromophenyl)methyl]-1-N-methyl-2-phenylpropane-1,2-diamine

1-N-[(3-bromophenyl)methyl]-1-N-methyl-2-phenylpropane-1,2-diamine (PubChem CID 62487226) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 1-N-[(3-bromophenyl)methyl]-1-N-methyl-2-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(3-bromophenyl)methyl]-1-N-methyl-2-phenylpropane-1,2-diamine
PubChem CID62487226
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name1-N-[(3-bromophenyl)methyl]-1-N-methyl-2-phenylpropane-1,2-diamine
SMILESCN(Cc1cccc(Br)c1)CC(C)(N)c1ccccc1
InChIInChI=1S/C17H21BrN2/c1-17(19,15-8-4-3-5-9-15)13-20(2)12-14-7-6-10-16(18)11-14/h3-11H,12-13,19H2,1-2H3
InChIKeyQRIFQAUHXRIZLT-UHFFFAOYSA-N
XLogP3.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-methyl-2-phenyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62487214
1-N-[(3-bromophenyl)methyl]-2-cyclopropyl-1-N-methylpropane-1,2-diamine
CID 61416171
1-N-(2,2-dimethylpropyl)-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62488447
methyl 3-[(3-bromophenyl)methyl-methylamino]-2,2-dimethylpropanoate
CID 79619783
N'-[(3-bromophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61415516
1-N-[(3-bromophenyl)methyl]-1-N-methyl-4-phenylbutane-1,2-diamine
CID 114929581
N'-[(3-bromophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 61415517
1-(3-bromophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanamine
CID 60646316
N-[(3-bromophenyl)methyl]-2-ethyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63494839
3-amino-4-[(3-bromophenyl)methyl-methylamino]butanoic acid
CID 115241775
N'-benzyl-N',2-dimethyl-2-phenylpropane-1,3-diamine
CID 62263027
1-[(3-bromophenyl)methyl-methylamino]propan-2-ol
CID 61416066

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3-bromophenyl)methyl]-1-N-methyl-2-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-[(3-bromophenyl)methyl]-1-N-methyl-2-phenylpropane-1,2-diamine (CID 62487226) is 1-N-[(3-bromophenyl)methyl]-1-N-methyl-2-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(3-bromophenyl)methyl]-1-N-methyl-2-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(3-bromophenyl)methyl]-1-N-methyl-2-phenylpropane-1,2-diamine is CN(Cc1cccc(Br)c1)CC(C)(N)c1ccccc1.
What is the InChIKey of 1-N-[(3-bromophenyl)methyl]-1-N-methyl-2-phenylpropane-1,2-diamine?
The InChIKey is QRIFQAUHXRIZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-17(19,15-8-4-3-5-9-15)13-20(2)12-14-7-6-10-16(18)11-14/h3-11H,12-13,19H2,1-2H3.
What are the key properties of 1-N-[(3-bromophenyl)methyl]-1-N-methyl-2-phenylpropane-1,2-diamine?
1-N-[(3-bromophenyl)methyl]-1-N-methyl-2-phenylpropane-1,2-diamine has a molecular weight of 333.27 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3-bromophenyl)methyl]-1-N-methyl-2-phenylpropane-1,2-diamine is sourced from PubChem (CID 62487226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).