1-(2-bromophenyl)-N-methyl-1-(3-propylphenyl)methanamine

C17H20BrN — CID 116544137

IUPAC1-(2-bromophenyl)-N-methyl-1-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(NC)c2ccccc2Br)c1
InChIInChI=1S/C17H20BrN/c1-3-7-13-8-6-9-14(12-13)17(19-2)15-10-4-5-11-16(15)18/h4-6,8-12,17,19H,3,7H2,1-2H3
InChIKeyFFCUXVQUQNFQAK-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.71
Rot. Bonds5

About 1-(2-bromophenyl)-N-methyl-1-(3-propylphenyl)methanamine

1-(2-bromophenyl)-N-methyl-1-(3-propylphenyl)methanamine (PubChem CID 116544137) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-methyl-1-(3-propylphenyl)methanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-methyl-1-(3-propylphenyl)methanamine
PubChem CID116544137
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name1-(2-bromophenyl)-N-methyl-1-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(NC)c2ccccc2Br)c1
InChIInChI=1S/C17H20BrN/c1-3-7-13-8-6-9-14(12-13)17(19-2)15-10-4-5-11-16(15)18/h4-6,8-12,17,19H,3,7H2,1-2H3
InChIKeyFFCUXVQUQNFQAK-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 116543823
1-(4-bromo-3-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105050441
1-(3-bromo-2-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 107953458
1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105050302
N-[(2-bromophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544140
N-methyl-1-(4-propan-2-ylphenyl)-1-(3-propylphenyl)methanamine
CID 116543873
N-[(2-bromo-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050326
1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105187892
N-methyl-1-(3-propylphenyl)-1-pyrimidin-5-ylmethanamine
CID 102923924
N-methyl-1-(3-propylphenyl)ethanamine
CID 59900502
N-[(2-bromo-6-fluorophenyl)-(3-propylphenyl)methyl]ethanamine
CID 114887151
1-(2-bromo-3-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018490

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-methyl-1-(3-propylphenyl)methanamine?
The IUPAC name of 1-(2-bromophenyl)-N-methyl-1-(3-propylphenyl)methanamine (CID 116544137) is 1-(2-bromophenyl)-N-methyl-1-(3-propylphenyl)methanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-methyl-1-(3-propylphenyl)methanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-methyl-1-(3-propylphenyl)methanamine is CCCc1cccc(C(NC)c2ccccc2Br)c1.
What is the InChIKey of 1-(2-bromophenyl)-N-methyl-1-(3-propylphenyl)methanamine?
The InChIKey is FFCUXVQUQNFQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-3-7-13-8-6-9-14(12-13)17(19-2)15-10-4-5-11-16(15)18/h4-6,8-12,17,19H,3,7H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-N-methyl-1-(3-propylphenyl)methanamine?
1-(2-bromophenyl)-N-methyl-1-(3-propylphenyl)methanamine has a molecular weight of 318.26 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-methyl-1-(3-propylphenyl)methanamine is sourced from PubChem (CID 116544137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).