(2S)-1-(2-bromo-6-methoxyphenyl)propan-2-amine

C10H14BrNO — CID 130691963

IUPAC(2S)-1-(2-bromo-6-methoxyphenyl)propan-2-amine
SMILESCOc1cccc(Br)c1C[C@H](C)N
InChIInChI=1S/C10H14BrNO/c1-7(12)6-8-9(11)4-3-5-10(8)13-2/h3-5,7H,6,12H2,1-2H3/t7-/m0/s1
InChIKeyVMDZBCVKHFIYOO-ZETCQYMHSA-N
MW244.13 g/mol
LogP2.35
Rot. Bonds3

About (2S)-1-(2-bromo-6-methoxyphenyl)propan-2-amine

(2S)-1-(2-bromo-6-methoxyphenyl)propan-2-amine (PubChem CID 130691963) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is (2S)-1-(2-bromo-6-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2-bromo-6-methoxyphenyl)propan-2-amine
PubChem CID130691963
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name(2S)-1-(2-bromo-6-methoxyphenyl)propan-2-amine
SMILESCOc1cccc(Br)c1C[C@H](C)N
InChIInChI=1S/C10H14BrNO/c1-7(12)6-8-9(11)4-3-5-10(8)13-2/h3-5,7H,6,12H2,1-2H3/t7-/m0/s1
InChIKeyVMDZBCVKHFIYOO-ZETCQYMHSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3-fluoro-6-methoxyphenyl)propan-2-amine
CID 83902067
1-(6-methoxy-2,3-dimethylphenyl)propan-2-amine
CID 117284120
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
2-amino-1-(2-bromo-6-methoxyphenyl)propan-1-one
CID 84709286
1-(3-methoxy-2-propan-2-ylphenyl)propan-2-amine
CID 117296824
1-[2-[(2-bromophenyl)methoxy]-6-chlorophenyl]propan-2-amine
CID 114321926
1-(7-methoxy-1,2-dimethylindol-3-yl)propan-2-amine
CID 82495856
1-bromo-2-(isocyanatomethyl)-3-methoxybenzene
CID 117356821
1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261607
1-[2-[(2-bromophenyl)methoxy]phenyl]propan-2-amine
CID 54930668
1,2-dibromo-3-methoxybenzene
CID 11958056
2-(2-azidoethyl)-1-bromo-3-methoxybenzene
CID 151383343

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-bromo-6-methoxyphenyl)propan-2-amine?
The IUPAC name of (2S)-1-(2-bromo-6-methoxyphenyl)propan-2-amine (CID 130691963) is (2S)-1-(2-bromo-6-methoxyphenyl)propan-2-amine.
What is the SMILES notation for (2S)-1-(2-bromo-6-methoxyphenyl)propan-2-amine?
The canonical SMILES for (2S)-1-(2-bromo-6-methoxyphenyl)propan-2-amine is COc1cccc(Br)c1C[C@H](C)N.
What is the InChIKey of (2S)-1-(2-bromo-6-methoxyphenyl)propan-2-amine?
The InChIKey is VMDZBCVKHFIYOO-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-7(12)6-8-9(11)4-3-5-10(8)13-2/h3-5,7H,6,12H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-1-(2-bromo-6-methoxyphenyl)propan-2-amine?
(2S)-1-(2-bromo-6-methoxyphenyl)propan-2-amine has a molecular weight of 244.13 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-bromo-6-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 130691963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).