(1S,2S)-1-(3-methoxy-4-methylphenyl)propane-1,2-diamine

C11H18N2O — CID 130934760

IUPAC(1S,2S)-1-(3-methoxy-4-methylphenyl)propane-1,2-diamine
SMILESCOc1cc([C@H](N)[C@H](C)N)ccc1C
InChIInChI=1S/C11H18N2O/c1-7-4-5-9(6-10(7)14-3)11(13)8(2)12/h4-6,8,11H,12-13H2,1-3H3/t8-,11+/m0/s1
InChIKeyWZVFNIGHYJZLQZ-GZMMTYOYSA-N
MW194.28 g/mol
LogP1.35
Rot. Bonds3

About (1S,2S)-1-(3-methoxy-4-methylphenyl)propane-1,2-diamine

(1S,2S)-1-(3-methoxy-4-methylphenyl)propane-1,2-diamine (PubChem CID 130934760) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (1S,2S)-1-(3-methoxy-4-methylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name(1S,2S)-1-(3-methoxy-4-methylphenyl)propane-1,2-diamine
PubChem CID130934760
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(1S,2S)-1-(3-methoxy-4-methylphenyl)propane-1,2-diamine
SMILESCOc1cc([C@H](N)[C@H](C)N)ccc1C
InChIInChI=1S/C11H18N2O/c1-7-4-5-9(6-10(7)14-3)11(13)8(2)12/h4-6,8,11H,12-13H2,1-3H3/t8-,11+/m0/s1
InChIKeyWZVFNIGHYJZLQZ-GZMMTYOYSA-N
XLogP1.35
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-methoxy-4-methylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171205480
(1S)-1-(3-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-amine
CID 131536439
(1S,2S)-1-(3-bromo-4-methoxyphenyl)propane-1,2-diamine
CID 131002328
1-amino-1-(3-methoxy-4-methylphenyl)propan-2-one
CID 55296322
(4S)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol
CID 171225063
(1S)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 171233342
(4-methoxy-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 83044207
(1R)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 171213719
(4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 65298951
3-(3-methoxy-4-methylphenyl)butan-1-ol
CID 72978410
(4S)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride
CID 171225064
(4R)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride
CID 171205490

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(3-methoxy-4-methylphenyl)propane-1,2-diamine?
The IUPAC name of (1S,2S)-1-(3-methoxy-4-methylphenyl)propane-1,2-diamine (CID 130934760) is (1S,2S)-1-(3-methoxy-4-methylphenyl)propane-1,2-diamine.
What is the SMILES notation for (1S,2S)-1-(3-methoxy-4-methylphenyl)propane-1,2-diamine?
The canonical SMILES for (1S,2S)-1-(3-methoxy-4-methylphenyl)propane-1,2-diamine is COc1cc([C@H](N)[C@H](C)N)ccc1C.
What is the InChIKey of (1S,2S)-1-(3-methoxy-4-methylphenyl)propane-1,2-diamine?
The InChIKey is WZVFNIGHYJZLQZ-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7-4-5-9(6-10(7)14-3)11(13)8(2)12/h4-6,8,11H,12-13H2,1-3H3/t8-,11+/m0/s1.
What are the key properties of (1S,2S)-1-(3-methoxy-4-methylphenyl)propane-1,2-diamine?
(1S,2S)-1-(3-methoxy-4-methylphenyl)propane-1,2-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(3-methoxy-4-methylphenyl)propane-1,2-diamine is sourced from PubChem (CID 130934760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).