2-(4-bromophenyl)-3-phenylmethoxypropan-1-amine

C16H18BrNO — CID 102940584

IUPAC2-(4-bromophenyl)-3-phenylmethoxypropan-1-amine
SMILESNCC(COCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C16H18BrNO/c17-16-8-6-14(7-9-16)15(10-18)12-19-11-13-4-2-1-3-5-13/h1-9,15H,10-12,18H2
InChIKeyNOOVWLRFLUSJGT-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.71
Rot. Bonds6

About 2-(4-bromophenyl)-3-phenylmethoxypropan-1-amine

2-(4-bromophenyl)-3-phenylmethoxypropan-1-amine (PubChem CID 102940584) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-phenylmethoxypropan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-phenylmethoxypropan-1-amine
PubChem CID102940584
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name2-(4-bromophenyl)-3-phenylmethoxypropan-1-amine
SMILESNCC(COCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C16H18BrNO/c17-16-8-6-14(7-9-16)15(10-18)12-19-11-13-4-2-1-3-5-13/h1-9,15H,10-12,18H2
InChIKeyNOOVWLRFLUSJGT-UHFFFAOYSA-N
XLogP3.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-3-phenylmethoxypropan-1-amine
CID 102940587
2-(2-chlorophenyl)-3-phenylmethoxypropan-1-amine
CID 102940597
3-(4-bromophenyl)-2-phenylpropan-1-amine
CID 65429656
1-bromo-3-(1-bromo-3-phenylmethoxypropan-2-yl)benzene
CID 102940998
2,2-dibromoethoxymethylbenzene
CID 14668834
2-[4-(phenylmethoxymethyl)phenyl]propan-1-amine
CID 105349042
N-methyl-2-(4-methylphenyl)-3-phenylmethoxypropan-1-amine
CID 102940575
(2S)-2-(4-bromo-2-methylphenyl)-3-phenylmethoxypropan-1-ol
CID 118092700
1-bromo-2-(1-chloro-3-phenylmethoxypropan-2-yl)benzene
CID 102941003
N-ethyl-2-phenyl-3-phenylmethoxypropan-1-amine
CID 102940555
3-methoxy-2-phenylpropan-1-amine
CID 66968828
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-phenylmethoxypropan-1-amine?
The IUPAC name of 2-(4-bromophenyl)-3-phenylmethoxypropan-1-amine (CID 102940584) is 2-(4-bromophenyl)-3-phenylmethoxypropan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)-3-phenylmethoxypropan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)-3-phenylmethoxypropan-1-amine is NCC(COCc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-phenylmethoxypropan-1-amine?
The InChIKey is NOOVWLRFLUSJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c17-16-8-6-14(7-9-16)15(10-18)12-19-11-13-4-2-1-3-5-13/h1-9,15H,10-12,18H2.
What are the key properties of 2-(4-bromophenyl)-3-phenylmethoxypropan-1-amine?
2-(4-bromophenyl)-3-phenylmethoxypropan-1-amine has a molecular weight of 320.23 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-phenylmethoxypropan-1-amine is sourced from PubChem (CID 102940584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).