2-N-[2-(2-methylpropoxy)phenyl]propane-1,2-diamine

C13H22N2O — CID 103389265

IUPAC2-N-[2-(2-methylpropoxy)phenyl]propane-1,2-diamine
SMILESCC(C)COc1ccccc1NC(C)CN
InChIInChI=1S/C13H22N2O/c1-10(2)9-16-13-7-5-4-6-12(13)15-11(3)8-14/h4-7,10-11,15H,8-9,14H2,1-3H3
InChIKeyKACPJSHSKFCSBH-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.48
Rot. Bonds6

About 2-N-[2-(2-methylpropoxy)phenyl]propane-1,2-diamine

2-N-[2-(2-methylpropoxy)phenyl]propane-1,2-diamine (PubChem CID 103389265) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-N-[2-(2-methylpropoxy)phenyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(2-methylpropoxy)phenyl]propane-1,2-diamine
PubChem CID103389265
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-N-[2-(2-methylpropoxy)phenyl]propane-1,2-diamine
SMILESCC(C)COc1ccccc1NC(C)CN
InChIInChI=1S/C13H22N2O/c1-10(2)9-16-13-7-5-4-6-12(13)15-11(3)8-14/h4-7,10-11,15H,8-9,14H2,1-3H3
InChIKeyKACPJSHSKFCSBH-UHFFFAOYSA-N
XLogP2.48
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-[2-(2-methylpropoxy)phenyl]propane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(2-methoxyphenyl)propane-1,2-diamine
CID 65383995
2-(2-methylpropoxy)-N-octan-2-ylaniline
CID 63452971
N-(dicyclopropylmethyl)-2-(2-methylpropoxy)aniline
CID 54864889
2-(1-aminopropan-2-ylamino)phenol
CID 105433034
2-(2-methylpropoxy)-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79539102
N-[2-(2-methylpropoxy)phenyl]methanesulfonamide
CID 61062351
(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 93360503
2-(2-methylpropoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 54881549
N-(1-methoxypropan-2-yl)-2-propoxyaniline
CID 62534500
N-cyclopentyl-2-(2-methylpropoxy)aniline
CID 54864910
2-(2-aminoethoxy)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 79474018
(2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide
CID 61174256

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2-methylpropoxy)phenyl]propane-1,2-diamine?
The IUPAC name of 2-N-[2-(2-methylpropoxy)phenyl]propane-1,2-diamine (CID 103389265) is 2-N-[2-(2-methylpropoxy)phenyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(2-methylpropoxy)phenyl]propane-1,2-diamine?
The canonical SMILES for 2-N-[2-(2-methylpropoxy)phenyl]propane-1,2-diamine is CC(C)COc1ccccc1NC(C)CN.
What is the InChIKey of 2-N-[2-(2-methylpropoxy)phenyl]propane-1,2-diamine?
The InChIKey is KACPJSHSKFCSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(2)9-16-13-7-5-4-6-12(13)15-11(3)8-14/h4-7,10-11,15H,8-9,14H2,1-3H3.
What are the key properties of 2-N-[2-(2-methylpropoxy)phenyl]propane-1,2-diamine?
2-N-[2-(2-methylpropoxy)phenyl]propane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2-methylpropoxy)phenyl]propane-1,2-diamine is sourced from PubChem (CID 103389265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).