2-[(3-bromophenyl)methoxy]-N,2-dimethylpropan-1-amine

C12H18BrNO — CID 82832000

IUPAC2-[(3-bromophenyl)methoxy]-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)OCc1cccc(Br)c1
InChIInChI=1S/C12H18BrNO/c1-12(2,9-14-3)15-8-10-5-4-6-11(13)7-10/h4-7,14H,8-9H2,1-3H3
InChIKeyDXZGYFVPCSYHIW-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.96
Rot. Bonds5

About 2-[(3-bromophenyl)methoxy]-N,2-dimethylpropan-1-amine

2-[(3-bromophenyl)methoxy]-N,2-dimethylpropan-1-amine (PubChem CID 82832000) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxy]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxy]-N,2-dimethylpropan-1-amine
PubChem CID82832000
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name2-[(3-bromophenyl)methoxy]-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)OCc1cccc(Br)c1
InChIInChI=1S/C12H18BrNO/c1-12(2,9-14-3)15-8-10-5-4-6-11(13)7-10/h4-7,14H,8-9H2,1-3H3
InChIKeyDXZGYFVPCSYHIW-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methoxyphenyl)methoxy]-N,2-dimethylpropan-1-amine
CID 62354804
N-[(3-bromophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114940760
1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine
CID 60880082
N,2-dimethyl-2-(2-phenylethoxy)propan-1-amine
CID 114998432
1-[(3-bromophenyl)methoxy]-3-(methylamino)propan-2-ol
CID 82828408
3-[(3-bromophenyl)methoxy]-2,2-dimethylpropane-1-thiol
CID 82827092
1-[(3-bromophenyl)methoxy]-3,3-dimethylbutan-2-one
CID 82827323
1-bromo-3-(4-methylpentoxymethyl)benzene
CID 55219648
N-[(3-bromophenyl)methyl]-3-chloro-2,2-dimethylpropan-1-amine
CID 115363415
N-[(3-bromophenyl)methyl]-3-methoxy-3-methylbutan-1-amine
CID 103033220
3-[(3-bromophenyl)methoxy]-2,2-dimethylpropan-1-amine
CID 82825243
1-[4-[(3-bromophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 79891483

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methoxy]-N,2-dimethylpropan-1-amine?
The IUPAC name of 2-[(3-bromophenyl)methoxy]-N,2-dimethylpropan-1-amine (CID 82832000) is 2-[(3-bromophenyl)methoxy]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 2-[(3-bromophenyl)methoxy]-N,2-dimethylpropan-1-amine?
The canonical SMILES for 2-[(3-bromophenyl)methoxy]-N,2-dimethylpropan-1-amine is CNCC(C)(C)OCc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methoxy]-N,2-dimethylpropan-1-amine?
The InChIKey is DXZGYFVPCSYHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-12(2,9-14-3)15-8-10-5-4-6-11(13)7-10/h4-7,14H,8-9H2,1-3H3.
What are the key properties of 2-[(3-bromophenyl)methoxy]-N,2-dimethylpropan-1-amine?
2-[(3-bromophenyl)methoxy]-N,2-dimethylpropan-1-amine has a molecular weight of 272.19 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methoxy]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 82832000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).