3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propan-1-amine

C17H20BrNO2 — CID 170867827

IUPAC3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propan-1-amine
SMILESCOc1cccc(CCCN)c1OCc1cccc(Br)c1
InChIInChI=1S/C17H20BrNO2/c1-20-16-9-3-6-14(7-4-10-19)17(16)21-12-13-5-2-8-15(18)11-13/h2-3,5-6,8-9,11H,4,7,10,12,19H2,1H3
InChIKeyFTCLHRUCBGCUQK-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.93
Rot. Bonds7

About 3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propan-1-amine

3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propan-1-amine (PubChem CID 170867827) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propan-1-amine.

Molecular Properties

Compound Name3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propan-1-amine
PubChem CID170867827
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propan-1-amine
SMILESCOc1cccc(CCCN)c1OCc1cccc(Br)c1
InChIInChI=1S/C17H20BrNO2/c1-20-16-9-3-6-14(7-4-10-19)17(16)21-12-13-5-2-8-15(18)11-13/h2-3,5-6,8-9,11H,4,7,10,12,19H2,1H3
InChIKeyFTCLHRUCBGCUQK-UHFFFAOYSA-N
XLogP3.93
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870384
[4-[(3-bromophenyl)methoxy]-3,5-dimethoxyphenyl]methanamine
CID 60889253
2-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 60906008
[2-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]methanamine
CID 104796178
4-(3-ethoxy-2-phenylmethoxyphenyl)butan-1-amine
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4-[(3-bromophenyl)methoxy]-3-methoxyaniline
CID 55036826
[2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60880402
2-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine
CID 63325848
2-[3-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine
CID 54930681
4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]butane-1,2-diol
CID 82185820
2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935375
2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104648792

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propan-1-amine?
The IUPAC name of 3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propan-1-amine (CID 170867827) is 3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propan-1-amine.
What is the SMILES notation for 3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propan-1-amine?
The canonical SMILES for 3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propan-1-amine is COc1cccc(CCCN)c1OCc1cccc(Br)c1.
What is the InChIKey of 3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propan-1-amine?
The InChIKey is FTCLHRUCBGCUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-20-16-9-3-6-14(7-4-10-19)17(16)21-12-13-5-2-8-15(18)11-13/h2-3,5-6,8-9,11H,4,7,10,12,19H2,1H3.
What are the key properties of 3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propan-1-amine?
3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propan-1-amine has a molecular weight of 350.26 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propan-1-amine is sourced from PubChem (CID 170867827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).