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

C17H19Br2NO — CID 43493875

IUPACN-[(3-bromo-4-methoxyphenyl)-(4-bromophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)cc1)c1ccc(OC)c(Br)c1
InChIInChI=1S/C17H19Br2NO/c1-3-10-20-17(12-4-7-14(18)8-5-12)13-6-9-16(21-2)15(19)11-13/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyULNNZGKQOHMDSP-UHFFFAOYSA-N
MW413.15 g/mol
LogP5.31
Rot. Bonds6

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

N-[(3-bromo-4-methoxyphenyl)-(4-bromophenyl)methyl]propan-1-amine (PubChem CID 43493875) has the molecular formula C17H19Br2NO and a molecular weight of 413.15 g/mol. Its IUPAC name is N-[(3-bromo-4-methoxyphenyl)-(4-bromophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-methoxyphenyl)-(4-bromophenyl)methyl]propan-1-amine
PubChem CID43493875
Molecular FormulaC17H19Br2NO
Molecular Weight413.15 g/mol
Exact Mass410.98
IUPAC NameN-[(3-bromo-4-methoxyphenyl)-(4-bromophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)cc1)c1ccc(OC)c(Br)c1
InChIInChI=1S/C17H19Br2NO/c1-3-10-20-17(12-4-7-14(18)8-5-12)13-6-9-16(21-2)15(19)11-13/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyULNNZGKQOHMDSP-UHFFFAOYSA-N
XLogP5.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.15
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-methoxyphenyl)-(4-chlorophenyl)methyl]propan-1-amine
CID 43493876
N-[(3-bromo-4-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine
CID 43493872
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-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487806
N-[(3-bromophenyl)-(3-chloro-4-methoxyphenyl)methyl]propan-1-amine
CID 43494447
N-[(3-bromo-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858444
N-[(3-bromo-4-methoxyphenyl)-(4-bromo-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105053991
N-[(4-bromophenyl)-(3,5-dibromophenyl)methyl]propan-1-amine
CID 107979789
N-[(3,4-dimethoxyphenyl)-phenylmethyl]propan-1-amine
CID 43494597
N-[(3-bromo-4-methoxyphenyl)-pyridin-4-ylmethyl]ethanamine
CID 43487751
N-[(3-bromo-4-methoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]propan-1-amine
CID 103400867

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methoxyphenyl)-(4-bromophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-bromo-4-methoxyphenyl)-(4-bromophenyl)methyl]propan-1-amine (CID 43493875) is N-[(3-bromo-4-methoxyphenyl)-(4-bromophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromo-4-methoxyphenyl)-(4-bromophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromo-4-methoxyphenyl)-(4-bromophenyl)methyl]propan-1-amine is CCCNC(c1ccc(Br)cc1)c1ccc(OC)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-methoxyphenyl)-(4-bromophenyl)methyl]propan-1-amine?
The InChIKey is ULNNZGKQOHMDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2NO/c1-3-10-20-17(12-4-7-14(18)8-5-12)13-6-9-16(21-2)15(19)11-13/h4-9,11,17,20H,3,10H2,1-2H3.
What are the key properties of N-[(3-bromo-4-methoxyphenyl)-(4-bromophenyl)methyl]propan-1-amine?
N-[(3-bromo-4-methoxyphenyl)-(4-bromophenyl)methyl]propan-1-amine has a molecular weight of 413.15 g/mol, XLogP of 5.31, 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)-(4-bromophenyl)methyl]propan-1-amine is sourced from PubChem (CID 43493875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).