1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine

C12H20N2O — CID 116933048

IUPAC1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine
SMILESCOc1ccc(C)cc1C(N)C(C)CN
InChIInChI=1S/C12H20N2O/c1-8-4-5-11(15-3)10(6-8)12(14)9(2)7-13/h4-6,9,12H,7,13-14H2,1-3H3
InChIKeyZVRWRSXWXVBUTP-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.60
Rot. Bonds4

About 1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine

1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine (PubChem CID 116933048) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine
PubChem CID116933048
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine
SMILESCOc1ccc(C)cc1C(N)C(C)CN
InChIInChI=1S/C12H20N2O/c1-8-4-5-11(15-3)10(6-8)12(14)9(2)7-13/h4-6,9,12H,7,13-14H2,1-3H3
InChIKeyZVRWRSXWXVBUTP-UHFFFAOYSA-N
XLogP1.60
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-methylpropane-1,3-diamine
CID 116933051
1-(2,5-dimethoxy-4-methylphenyl)-2-methylpropane-1,3-diamine
CID 116933112
2-[fluoro-(2-methoxy-5-methylphenyl)methyl]-3-methylbutan-1-amine
CID 107443810
2-cyclopropyl-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83155175
1-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropane-1,3-diamine
CID 116933090
1-(2-methoxy-5-methylphenyl)-N,N-dimethylethane-1,2-diamine
CID 82283769
1-(2-methoxy-5-methylphenyl)-2-piperazin-1-ylpropan-1-amine
CID 116946739
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
3-amino-1-(2-methoxy-5-methylphenyl)butan-1-ol
CID 81462431
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium
CID 7047666
1-methoxy-2-(1-methoxyethyl)-4-methylbenzene
CID 71396401

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine (CID 116933048) is 1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine is COc1ccc(C)cc1C(N)C(C)CN.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine?
The InChIKey is ZVRWRSXWXVBUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8-4-5-11(15-3)10(6-8)12(14)9(2)7-13/h4-6,9,12H,7,13-14H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine?
1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine is sourced from PubChem (CID 116933048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).