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

C18H22BrNO — CID 115792566

IUPACN-[(4-bromo-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)c(C)c1)c1ccccc1OC
InChIInChI=1S/C18H22BrNO/c1-4-11-20-18(14-9-10-16(19)13(2)12-14)15-7-5-6-8-17(15)21-3/h5-10,12,18,20H,4,11H2,1-3H3
InChIKeyBRUFNTRSUFJDIO-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.86
Rot. Bonds6

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

N-[(4-bromo-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine (PubChem CID 115792566) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is N-[(4-bromo-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
PubChem CID115792566
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC NameN-[(4-bromo-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)c(C)c1)c1ccccc1OC
InChIInChI=1S/C18H22BrNO/c1-4-11-20-18(14-9-10-16(19)13(2)12-14)15-7-5-6-8-17(15)21-3/h5-10,12,18,20H,4,11H2,1-3H3
InChIKeyBRUFNTRSUFJDIO-UHFFFAOYSA-N
XLogP4.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-3-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115794619
N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 79722130
N-[(5-bromo-2-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792512
N-[(3-methoxy-4-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115794735
N-[(3,4-difluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 43496515
N-[(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 105024887
1-(4-bromo-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 115853693
N-[(3-fluoro-4-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 43498303
N-[(4-chloro-3-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 79700808
N-[(4-bromo-2-methoxyphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 115368935
N-[(3-chloro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792668
N-[(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 106645250

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromo-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine (CID 115792566) is N-[(4-bromo-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromo-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromo-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine is CCCNC(c1ccc(Br)c(C)c1)c1ccccc1OC.
What is the InChIKey of N-[(4-bromo-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is BRUFNTRSUFJDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-4-11-20-18(14-9-10-16(19)13(2)12-14)15-7-5-6-8-17(15)21-3/h5-10,12,18,20H,4,11H2,1-3H3.
What are the key properties of N-[(4-bromo-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine?
N-[(4-bromo-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 348.28 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 115792566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).