(2R)-1-(4-bromophenoxy)-N-methylpropan-2-amine

C10H14BrNO — CID 161260305

IUPAC(2R)-1-(4-bromophenoxy)-N-methylpropan-2-amine
SMILESCN[C@H](C)COc1ccc(Br)cc1
InChIInChI=1S/C10H14BrNO/c1-8(12-2)7-13-10-5-3-9(11)4-6-10/h3-6,8,12H,7H2,1-2H3/t8-/m1/s1
InChIKeyVCLQUXDNWXCTHV-MRVPVSSYSA-N
MW244.13 g/mol
LogP2.44
Rot. Bonds4

About (2R)-1-(4-bromophenoxy)-N-methylpropan-2-amine

(2R)-1-(4-bromophenoxy)-N-methylpropan-2-amine (PubChem CID 161260305) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is (2R)-1-(4-bromophenoxy)-N-methylpropan-2-amine.

Molecular Properties

Compound Name(2R)-1-(4-bromophenoxy)-N-methylpropan-2-amine
PubChem CID161260305
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name(2R)-1-(4-bromophenoxy)-N-methylpropan-2-amine
SMILESCN[C@H](C)COc1ccc(Br)cc1
InChIInChI=1S/C10H14BrNO/c1-8(12-2)7-13-10-5-3-9(11)4-6-10/h3-6,8,12H,7H2,1-2H3/t8-/m1/s1
InChIKeyVCLQUXDNWXCTHV-MRVPVSSYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494771
methyl 4-[(2S)-2-(methylamino)propoxy]benzoate
CID 67404569
2-(4-bromophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829879
N-methyl-1-[4-[[4-[2-[methyl(propan-2-yl)amino]propoxy]phenyl]methyl]phenoxy]propan-2-amine
CID 162444077
N-[2-(4-bromophenoxy)ethyl]-1-methoxypropan-2-amine
CID 60688516
N-(4-bromophenyl)-4-(2-methylpropoxy)-N-[4-(2-methylpropoxy)phenyl]aniline
CID 90278077
1-(4-bromophenoxy)-3-(propan-2-ylamino)propan-2-ol chloride
CID 46863817
1-(3-chlorophenoxy)-N-methylpropan-2-amine
CID 112692970
1-bromo-4-(2,3-dimethoxypropoxy)benzene
CID 67740400
1-bromo-4-[(4S)-4-methylhexoxy]benzene
CID 14692508
1-[1-(3-bromophenyl)pyrazol-4-yl]oxy-N-methylpropan-2-amine
CID 117230376
1-(4-bromophenoxy)-3-(3,3-dimethylbutan-2-ylamino)propan-2-ol
CID 115627467

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-bromophenoxy)-N-methylpropan-2-amine?
The IUPAC name of (2R)-1-(4-bromophenoxy)-N-methylpropan-2-amine (CID 161260305) is (2R)-1-(4-bromophenoxy)-N-methylpropan-2-amine.
What is the SMILES notation for (2R)-1-(4-bromophenoxy)-N-methylpropan-2-amine?
The canonical SMILES for (2R)-1-(4-bromophenoxy)-N-methylpropan-2-amine is CN[C@H](C)COc1ccc(Br)cc1.
What is the InChIKey of (2R)-1-(4-bromophenoxy)-N-methylpropan-2-amine?
The InChIKey is VCLQUXDNWXCTHV-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-8(12-2)7-13-10-5-3-9(11)4-6-10/h3-6,8,12H,7H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-1-(4-bromophenoxy)-N-methylpropan-2-amine?
(2R)-1-(4-bromophenoxy)-N-methylpropan-2-amine has a molecular weight of 244.13 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-bromophenoxy)-N-methylpropan-2-amine is sourced from PubChem (CID 161260305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).