(1S)-1-(4-bromophenyl)-2-methoxyethanamine

C9H12BrNO — CID 95448248

IUPAC(1S)-1-(4-bromophenyl)-2-methoxyethanamine
SMILESCOC[C@@H](N)c1ccc(Br)cc1
InChIInChI=1S/C9H12BrNO/c1-12-6-9(11)7-2-4-8(10)5-3-7/h2-5,9H,6,11H2,1H3/t9-/m1/s1
InChIKeyAOPHCXXWOIWZSC-SECBINFHSA-N
MW230.10 g/mol
LogP2.10
Rot. Bonds3

About (1S)-1-(4-bromophenyl)-2-methoxyethanamine

(1S)-1-(4-bromophenyl)-2-methoxyethanamine (PubChem CID 95448248) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is (1S)-1-(4-bromophenyl)-2-methoxyethanamine.

Molecular Properties

Compound Name(1S)-1-(4-bromophenyl)-2-methoxyethanamine
PubChem CID95448248
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name(1S)-1-(4-bromophenyl)-2-methoxyethanamine
SMILESCOC[C@@H](N)c1ccc(Br)cc1
InChIInChI=1S/C9H12BrNO/c1-12-6-9(11)7-2-4-8(10)5-3-7/h2-5,9H,6,11H2,1H3/t9-/m1/s1
InChIKeyAOPHCXXWOIWZSC-SECBINFHSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3,5-dibromophenyl)-2-methoxyethanamine
CID 131077040
4-[(1S)-1-amino-2-methoxyethyl]phenol
CID 55292260
(1S)-1-(3,4-dibromophenyl)-2-methoxyethanamine
CID 130739602
(1R)-2-methoxy-1-phenylethanamine
CID 11019045
2-methoxy-1-[4-(methoxymethyl)phenyl]ethanamine
CID 18507864
(1R)-2-methoxy-1-(4-methylsulfanylphenyl)ethanamine
CID 55270386
(1R)-1-(4-bromophenyl)-2-methoxyethanol
CID 14940709
2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 16786344
(1S)-1-(3-bromo-4-methoxyphenyl)-2-methoxyethanamine
CID 95466503
(1R)-1-(3-bromo-4-chlorophenyl)-2-methoxyethanamine
CID 131168794
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)ethanamine
CID 104560552
1-(4-bromophenyl)-3-(2,2-difluoroethoxy)propan-1-amine
CID 103207036

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromophenyl)-2-methoxyethanamine?
The IUPAC name of (1S)-1-(4-bromophenyl)-2-methoxyethanamine (CID 95448248) is (1S)-1-(4-bromophenyl)-2-methoxyethanamine.
What is the SMILES notation for (1S)-1-(4-bromophenyl)-2-methoxyethanamine?
The canonical SMILES for (1S)-1-(4-bromophenyl)-2-methoxyethanamine is COC[C@@H](N)c1ccc(Br)cc1.
What is the InChIKey of (1S)-1-(4-bromophenyl)-2-methoxyethanamine?
The InChIKey is AOPHCXXWOIWZSC-SECBINFHSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-12-6-9(11)7-2-4-8(10)5-3-7/h2-5,9H,6,11H2,1H3/t9-/m1/s1.
What are the key properties of (1S)-1-(4-bromophenyl)-2-methoxyethanamine?
(1S)-1-(4-bromophenyl)-2-methoxyethanamine has a molecular weight of 230.10 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-bromophenyl)-2-methoxyethanamine is sourced from PubChem (CID 95448248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).