(1S,2R)-1-(4-methoxyphenyl)-2-N-methylpropane-1,2-diamine

C11H18N2O — CID 163535290

IUPAC(1S,2R)-1-(4-methoxyphenyl)-2-N-methylpropane-1,2-diamine
SMILESCN[C@H](C)[C@@H](N)c1ccc(OC)cc1
InChIInChI=1S/C11H18N2O/c1-8(13-2)11(12)9-4-6-10(14-3)7-5-9/h4-8,11,13H,12H2,1-3H3/t8-,11-/m1/s1
InChIKeyDWKPZVKTYHOCBR-LDYMZIIASA-N
MW194.28 g/mol
LogP1.30
Rot. Bonds4

About (1S,2R)-1-(4-methoxyphenyl)-2-N-methylpropane-1,2-diamine

(1S,2R)-1-(4-methoxyphenyl)-2-N-methylpropane-1,2-diamine (PubChem CID 163535290) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (1S,2R)-1-(4-methoxyphenyl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name(1S,2R)-1-(4-methoxyphenyl)-2-N-methylpropane-1,2-diamine
PubChem CID163535290
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(1S,2R)-1-(4-methoxyphenyl)-2-N-methylpropane-1,2-diamine
SMILESCN[C@H](C)[C@@H](N)c1ccc(OC)cc1
InChIInChI=1S/C11H18N2O/c1-8(13-2)11(12)9-4-6-10(14-3)7-5-9/h4-8,11,13H,12H2,1-3H3/t8-,11-/m1/s1
InChIKeyDWKPZVKTYHOCBR-LDYMZIIASA-N
XLogP1.30
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-1-(4-methoxyphenyl)-N-methylpropan-2-amine
CID 91693922
(1R,2R)-2-N-methyl-1-phenylpropane-1,2-diamine
CID 59302389
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
ethane;1-(4-methoxyphenyl)-N-methylethanamine
CID 143114257
1-(4-methoxyphenyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 16781513
(1S,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol
CID 90478708
(1R,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol
CID 10707410
methyl (2R,3S)-2,3-diamino-3-(4-methoxyphenyl)propanoate
CID 135055623
3-(4-methoxyphenyl)butan-2-amine
CID 54524041
2-ethyl-1-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 116946443
3-amino-3-(4-methoxyphenyl)-2-methylpropanamide
CID 67167673
1-(4-methoxyphenyl)-2-methylbutane-1,4-diamine
CID 116933980

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-(4-methoxyphenyl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of (1S,2R)-1-(4-methoxyphenyl)-2-N-methylpropane-1,2-diamine (CID 163535290) is (1S,2R)-1-(4-methoxyphenyl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for (1S,2R)-1-(4-methoxyphenyl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for (1S,2R)-1-(4-methoxyphenyl)-2-N-methylpropane-1,2-diamine is CN[C@H](C)[C@@H](N)c1ccc(OC)cc1.
What is the InChIKey of (1S,2R)-1-(4-methoxyphenyl)-2-N-methylpropane-1,2-diamine?
The InChIKey is DWKPZVKTYHOCBR-LDYMZIIASA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(13-2)11(12)9-4-6-10(14-3)7-5-9/h4-8,11,13H,12H2,1-3H3/t8-,11-/m1/s1.
What are the key properties of (1S,2R)-1-(4-methoxyphenyl)-2-N-methylpropane-1,2-diamine?
(1S,2R)-1-(4-methoxyphenyl)-2-N-methylpropane-1,2-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-(4-methoxyphenyl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 163535290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).