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

C18H22BrNO — CID 43493872

IUPACN-[(3-bromo-4-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(C)c1)c1ccc(OC)c(Br)c1
InChIInChI=1S/C18H22BrNO/c1-4-10-20-18(14-7-5-6-13(2)11-14)15-8-9-17(21-3)16(19)12-15/h5-9,11-12,18,20H,4,10H2,1-3H3
InChIKeyRVWZYHAEPBQURK-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.86
Rot. Bonds6

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

N-[(3-bromo-4-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine (PubChem CID 43493872) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is N-[(3-bromo-4-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine
PubChem CID43493872
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC NameN-[(3-bromo-4-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(C)c1)c1ccc(OC)c(Br)c1
InChIInChI=1S/C18H22BrNO/c1-4-10-20-18(14-7-5-6-13(2)11-14)15-8-9-17(21-3)16(19)12-15/h5-9,11-12,18,20H,4,10H2,1-3H3
InChIKeyRVWZYHAEPBQURK-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-[(3-bromo-4-methoxyphenyl)-(4-bromophenyl)methyl]propan-1-amine
CID 43493875
N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine
CID 115789718
N-[(3-bromo-4-methoxyphenyl)-(4-chlorophenyl)methyl]propan-1-amine
CID 43493876
N-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487806
N-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43488776
N-[(3-bromo-4-methoxyphenyl)-(4-bromothiophen-3-yl)methyl]propan-1-amine
CID 105010525
N-[(3-bromo-4-methoxyphenyl)-(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 43493838
N-[(3-bromophenyl)-(3-chloro-4-methoxyphenyl)methyl]propan-1-amine
CID 43494447
N-[(3-bromo-4-methoxyphenyl)-(4-bromo-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105053991
N-[(3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methyl]ethanamine
CID 104851189
N-[(3,4-dimethoxyphenyl)-phenylmethyl]propan-1-amine
CID 43494597
N-[(3-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 43498202

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-bromo-4-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine (CID 43493872) is N-[(3-bromo-4-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromo-4-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromo-4-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine is CCCNC(c1cccc(C)c1)c1ccc(OC)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine?
The InChIKey is RVWZYHAEPBQURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-4-10-20-18(14-7-5-6-13(2)11-14)15-8-9-17(21-3)16(19)12-15/h5-9,11-12,18,20H,4,10H2,1-3H3.
What are the key properties of N-[(3-bromo-4-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine?
N-[(3-bromo-4-methoxyphenyl)-(3-methylphenyl)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-[(3-bromo-4-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43493872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).