N-[(4-bromo-3-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine

C18H22BrN — CID 115794619

IUPACN-[(4-bromo-3-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)c(C)c1)c1ccccc1C
InChIInChI=1S/C18H22BrN/c1-4-11-20-18(16-8-6-5-7-13(16)2)15-9-10-17(19)14(3)12-15/h5-10,12,18,20H,4,11H2,1-3H3
InChIKeyRUWWPEHTNHDBBR-UHFFFAOYSA-N
MW332.29 g/mol
LogP5.15
Rot. Bonds5

About N-[(4-bromo-3-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine

N-[(4-bromo-3-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine (PubChem CID 115794619) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is N-[(4-bromo-3-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine
PubChem CID115794619
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC NameN-[(4-bromo-3-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)c(C)c1)c1ccccc1C
InChIInChI=1S/C18H22BrN/c1-4-11-20-18(16-8-6-5-7-13(16)2)15-9-10-17(19)14(3)12-15/h5-10,12,18,20H,4,11H2,1-3H3
InChIKeyRUWWPEHTNHDBBR-UHFFFAOYSA-N
XLogP5.15
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 ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792566
N-[(3-methoxy-4-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115794735
N-[(3-chlorophenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 60819696
N-[(3-iodophenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115794712
N-[(2-bromo-3-methylphenyl)-(3-chloro-4-methylphenyl)methyl]propan-1-amine
CID 107985618
N-[(4-chloro-3-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 79700808
N-[(3-fluoro-4-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 43498303
N-[(2-bromofuran-3-yl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 106851661
N-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]propan-1-amine
CID 43497591
N-[(2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine
CID 81473765
N-[(2-methylphenyl)-naphthalen-2-ylmethyl]ethanamine
CID 63413907
N-[(5-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 65307696

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromo-3-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine (CID 115794619) is N-[(4-bromo-3-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromo-3-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromo-3-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(Br)c(C)c1)c1ccccc1C.
What is the InChIKey of N-[(4-bromo-3-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine?
The InChIKey is RUWWPEHTNHDBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-4-11-20-18(16-8-6-5-7-13(16)2)15-9-10-17(19)14(3)12-15/h5-10,12,18,20H,4,11H2,1-3H3.
What are the key properties of N-[(4-bromo-3-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine?
N-[(4-bromo-3-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine has a molecular weight of 332.29 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 115794619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).