1-(4-bromo-2-methylphenyl)-N-methyl-1-(4-propylphenyl)methanamine

C18H22BrN — CID 43629813

IUPAC1-(4-bromo-2-methylphenyl)-N-methyl-1-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(NC)c2ccc(Br)cc2C)cc1
InChIInChI=1S/C18H22BrN/c1-4-5-14-6-8-15(9-7-14)18(20-3)17-11-10-16(19)12-13(17)2/h6-12,18,20H,4-5H2,1-3H3
InChIKeyGBGWECVTNJIOPO-UHFFFAOYSA-N
MW332.29 g/mol
LogP5.02
Rot. Bonds5

About 1-(4-bromo-2-methylphenyl)-N-methyl-1-(4-propylphenyl)methanamine

1-(4-bromo-2-methylphenyl)-N-methyl-1-(4-propylphenyl)methanamine (PubChem CID 43629813) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-N-methyl-1-(4-propylphenyl)methanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-N-methyl-1-(4-propylphenyl)methanamine
PubChem CID43629813
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC Name1-(4-bromo-2-methylphenyl)-N-methyl-1-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(NC)c2ccc(Br)cc2C)cc1
InChIInChI=1S/C18H22BrN/c1-4-5-14-6-8-15(9-7-14)18(20-3)17-11-10-16(19)12-13(17)2/h6-12,18,20H,4-5H2,1-3H3
InChIKeyGBGWECVTNJIOPO-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-(2,4-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 107945722
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 43484899
1-(4-bromo-2-chlorophenyl)-1-(4-butylphenyl)-N-methylmethanamine
CID 43805236
1-(3,5-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 107975019
1-(4-bromo-2-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine
CID 115482156
1-(4-bromo-2-methylphenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 107560807
[(4-bromo-2-methylphenyl)-(3-propylphenyl)methyl]hydrazine
CID 105340454
[(4-bromo-2-fluorophenyl)-(4-propylphenyl)methyl]hydrazine
CID 105280828
(4-bromo-2-methylphenyl)-(4-butylphenyl)methanamine
CID 43629735
1-(4-bromo-2-methylphenyl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine
CID 115483839
N-[(4-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43629874
1-(4-bromo-2-methylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 43629800

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-N-methyl-1-(4-propylphenyl)methanamine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-N-methyl-1-(4-propylphenyl)methanamine (CID 43629813) is 1-(4-bromo-2-methylphenyl)-N-methyl-1-(4-propylphenyl)methanamine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-N-methyl-1-(4-propylphenyl)methanamine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-N-methyl-1-(4-propylphenyl)methanamine is CCCc1ccc(C(NC)c2ccc(Br)cc2C)cc1.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-N-methyl-1-(4-propylphenyl)methanamine?
The InChIKey is GBGWECVTNJIOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-4-5-14-6-8-15(9-7-14)18(20-3)17-11-10-16(19)12-13(17)2/h6-12,18,20H,4-5H2,1-3H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-N-methyl-1-(4-propylphenyl)methanamine?
1-(4-bromo-2-methylphenyl)-N-methyl-1-(4-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-2-methylphenyl)-N-methyl-1-(4-propylphenyl)methanamine is sourced from PubChem (CID 43629813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).