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

C17H20BrNO — CID 62048590

IUPACN-[(3-bromo-4-methoxyphenyl)methyl]-1-phenylpropan-1-amine
SMILESCCC(NCc1ccc(OC)c(Br)c1)c1ccccc1
InChIInChI=1S/C17H20BrNO/c1-3-16(14-7-5-4-6-8-14)19-12-13-9-10-17(20-2)15(18)11-13/h4-11,16,19H,3,12H2,1-2H3
InChIKeyRNGDLQJEASLVLW-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.70
Rot. Bonds6

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

N-[(3-bromo-4-methoxyphenyl)methyl]-1-phenylpropan-1-amine (PubChem CID 62048590) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[(3-bromo-4-methoxyphenyl)methyl]-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-methoxyphenyl)methyl]-1-phenylpropan-1-amine
PubChem CID62048590
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-[(3-bromo-4-methoxyphenyl)methyl]-1-phenylpropan-1-amine
SMILESCCC(NCc1ccc(OC)c(Br)c1)c1ccccc1
InChIInChI=1S/C17H20BrNO/c1-3-16(14-7-5-4-6-8-14)19-12-13-9-10-17(20-2)15(18)11-13/h4-11,16,19H,3,12H2,1-2H3
InChIKeyRNGDLQJEASLVLW-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromo-4-methoxyphenyl)methylamino]-2-phenylethanol
CID 63182463
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylpropan-1-amine
CID 54848825
1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 57046449
N-[(2,5-dimethoxyphenyl)methyl]-1-phenylpropan-1-amine
CID 62050261
N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylbutan-2-amine
CID 43221071
5-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2-methoxyphenol
CID 63184778
(1R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 78978073
(2R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 781010
1-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylbutan-2-amine
CID 107859064
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylbutan-1-amine
CID 17155694
N-[(3-ethoxy-4-methoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 78823901
2-[(3-bromo-4-methoxyphenyl)methylamino]propanenitrile
CID 115130128

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]-1-phenylpropan-1-amine?
The IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]-1-phenylpropan-1-amine (CID 62048590) is N-[(3-bromo-4-methoxyphenyl)methyl]-1-phenylpropan-1-amine.
What is the SMILES notation for N-[(3-bromo-4-methoxyphenyl)methyl]-1-phenylpropan-1-amine?
The canonical SMILES for N-[(3-bromo-4-methoxyphenyl)methyl]-1-phenylpropan-1-amine is CCC(NCc1ccc(OC)c(Br)c1)c1ccccc1.
What is the InChIKey of N-[(3-bromo-4-methoxyphenyl)methyl]-1-phenylpropan-1-amine?
The InChIKey is RNGDLQJEASLVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-3-16(14-7-5-4-6-8-14)19-12-13-9-10-17(20-2)15(18)11-13/h4-11,16,19H,3,12H2,1-2H3.
What are the key properties of N-[(3-bromo-4-methoxyphenyl)methyl]-1-phenylpropan-1-amine?
N-[(3-bromo-4-methoxyphenyl)methyl]-1-phenylpropan-1-amine has a molecular weight of 334.26 g/mol, XLogP of 4.70, 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)methyl]-1-phenylpropan-1-amine is sourced from PubChem (CID 62048590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).