(1S)-1-(3-chloro-2-methylphenyl)-2-methoxyethanamine

C10H14ClNO — CID 131080663

IUPAC(1S)-1-(3-chloro-2-methylphenyl)-2-methoxyethanamine
SMILESCOC[C@@H](N)c1cccc(Cl)c1C
InChIInChI=1S/C10H14ClNO/c1-7-8(10(12)6-13-2)4-3-5-9(7)11/h3-5,10H,6,12H2,1-2H3/t10-/m1/s1
InChIKeyJYVPBVRIIGZUDD-SNVBAGLBSA-N
MW199.68 g/mol
LogP2.29
Rot. Bonds3

About (1S)-1-(3-chloro-2-methylphenyl)-2-methoxyethanamine

(1S)-1-(3-chloro-2-methylphenyl)-2-methoxyethanamine (PubChem CID 131080663) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is (1S)-1-(3-chloro-2-methylphenyl)-2-methoxyethanamine.

Molecular Properties

Compound Name(1S)-1-(3-chloro-2-methylphenyl)-2-methoxyethanamine
PubChem CID131080663
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name(1S)-1-(3-chloro-2-methylphenyl)-2-methoxyethanamine
SMILESCOC[C@@H](N)c1cccc(Cl)c1C
InChIInChI=1S/C10H14ClNO/c1-7-8(10(12)6-13-2)4-3-5-9(7)11/h3-5,10H,6,12H2,1-2H3/t10-/m1/s1
InChIKeyJYVPBVRIIGZUDD-SNVBAGLBSA-N
XLogP2.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2,3-dimethylphenyl)-2-methoxyethanamine
CID 55291597
2-(1-amino-2-methoxyethyl)-6-chlorophenol
CID 130061439
(1S)-1-(2-bromo-3-chlorophenyl)-2-methoxyethanamine
CID 130642924
(1S)-1-(3-bromo-2-chlorophenyl)-2-methoxyethanamine
CID 131128367
(3S)-3-amino-3-(3-chloro-2-methylphenyl)propan-1-ol
CID 55272388
1-(3-chloro-2-methylphenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107312388
1-(2-chlorophenyl)-2-(methoxymethoxy)ethanamine
CID 89348696
1-(3-chloro-2-methylphenyl)decan-1-amine
CID 107102158
1-(3-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 154878722
2-methoxy-1-naphthalen-1-ylethanamine
CID 16790923
1-(2,3-dibromophenyl)-2-methoxyethanamine
CID 130043522
3-[(1R)-1-amino-2-methoxyethyl]-2-chlorobenzonitrile
CID 131151165

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chloro-2-methylphenyl)-2-methoxyethanamine?
The IUPAC name of (1S)-1-(3-chloro-2-methylphenyl)-2-methoxyethanamine (CID 131080663) is (1S)-1-(3-chloro-2-methylphenyl)-2-methoxyethanamine.
What is the SMILES notation for (1S)-1-(3-chloro-2-methylphenyl)-2-methoxyethanamine?
The canonical SMILES for (1S)-1-(3-chloro-2-methylphenyl)-2-methoxyethanamine is COC[C@@H](N)c1cccc(Cl)c1C.
What is the InChIKey of (1S)-1-(3-chloro-2-methylphenyl)-2-methoxyethanamine?
The InChIKey is JYVPBVRIIGZUDD-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-7-8(10(12)6-13-2)4-3-5-9(7)11/h3-5,10H,6,12H2,1-2H3/t10-/m1/s1.
What are the key properties of (1S)-1-(3-chloro-2-methylphenyl)-2-methoxyethanamine?
(1S)-1-(3-chloro-2-methylphenyl)-2-methoxyethanamine has a molecular weight of 199.68 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-chloro-2-methylphenyl)-2-methoxyethanamine is sourced from PubChem (CID 131080663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).