1-(4-bromo-3-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine

C18H22BrN — CID 105050441

IUPAC1-(4-bromo-3-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(NC)c2ccc(Br)c(C)c2)c1
InChIInChI=1S/C18H22BrN/c1-4-6-14-7-5-8-15(12-14)18(20-3)16-9-10-17(19)13(2)11-16/h5,7-12,18,20H,4,6H2,1-3H3
InChIKeyCSXVLOWXRHZEGW-UHFFFAOYSA-N
MW332.29 g/mol
LogP5.02
Rot. Bonds5

About 1-(4-bromo-3-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine

1-(4-bromo-3-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine (PubChem CID 105050441) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine
PubChem CID105050441
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC Name1-(4-bromo-3-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(NC)c2ccc(Br)c(C)c2)c1
InChIInChI=1S/C18H22BrN/c1-4-6-14-7-5-8-15(12-14)18(20-3)16-9-10-17(19)13(2)11-16/h5,7-12,18,20H,4,6H2,1-3H3
InChIKeyCSXVLOWXRHZEGW-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.29
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105050563
N-methyl-1-(4-propan-2-ylphenyl)-1-(3-propylphenyl)methanamine
CID 116543873
1-(2-bromophenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 116544137
N-[(4-chloro-3-methylphenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050433
1-(3,4-dimethylphenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018579
N-methyl-1-(3-propylphenyl)-1-pyrimidin-5-ylmethanamine
CID 102923924
[(3,4-dimethylphenyl)-(3-propylphenyl)methyl]hydrazine
CID 105340471
N-[(2-bromo-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050326
N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-propylphenyl)methanamine
CID 116544148
N-[(3-chloro-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050507
[(4-bromo-2-methylphenyl)-(3-propylphenyl)methyl]hydrazine
CID 105340454
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105050407

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine (CID 105050441) is 1-(4-bromo-3-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine is CCCc1cccc(C(NC)c2ccc(Br)c(C)c2)c1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine?
The InChIKey is CSXVLOWXRHZEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-4-6-14-7-5-8-15(12-14)18(20-3)16-9-10-17(19)13(2)11-16/h5,7-12,18,20H,4,6H2,1-3H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine?
1-(4-bromo-3-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine has a molecular weight of 332.29 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine is sourced from PubChem (CID 105050441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).