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

C10H16N2O — CID 55278362

IUPAC(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
SMILESCOc1ccc([C@H](N)CN)cc1C
InChIInChI=1S/C10H16N2O/c1-7-5-8(9(12)6-11)3-4-10(7)13-2/h3-5,9H,6,11-12H2,1-2H3/t9-/m1/s1
InChIKeyQQYLUBUZOYJZAX-SECBINFHSA-N
MW180.25 g/mol
LogP0.96
Rot. Bonds3

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

(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine (PubChem CID 55278362) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
PubChem CID55278362
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
SMILESCOc1ccc([C@H](N)CN)cc1C
InChIInChI=1S/C10H16N2O/c1-7-5-8(9(12)6-11)3-4-10(7)13-2/h3-5,9H,6,11-12H2,1-2H3/t9-/m1/s1
InChIKeyQQYLUBUZOYJZAX-SECBINFHSA-N
XLogP0.96
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-1-amine
CID 43379716
(3R)-3-amino-3-(4-methoxy-3-methylphenyl)propan-1-ol
CID 55265729
1-(4-methoxy-3-methylphenyl)decan-1-amine
CID 65448006
(4S)-4-amino-4-(4-methoxy-3-methylphenyl)butan-1-ol;hydrochloride
CID 171233352
(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine
CID 66516767
methyl 3-amino-3-(4-methoxy-3-methylphenyl)propanoate
CID 62132611
(1S)-1-(4-iodo-3-methoxyphenyl)ethane-1,2-diamine
CID 130741212
(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171210799
3-amino-3-(4-methoxy-3-methylphenyl)propanehydrazide
CID 116848729
1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine
CID 43379636
(1S)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 171233342
4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride
CID 171222633

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of (1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine (CID 55278362) is (1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for (1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for (1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine is COc1ccc([C@H](N)CN)cc1C.
What is the InChIKey of (1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine?
The InChIKey is QQYLUBUZOYJZAX-SECBINFHSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7-5-8(9(12)6-11)3-4-10(7)13-2/h3-5,9H,6,11-12H2,1-2H3/t9-/m1/s1.
What are the key properties of (1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine?
(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine has a molecular weight of 180.25 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 55278362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).