2-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine

C13H22N2O — CID 115132209

IUPAC2-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
SMILESCOc1ccccc1CCNC(C)(C)CN
InChIInChI=1S/C13H22N2O/c1-13(2,10-14)15-9-8-11-6-4-5-7-12(11)16-3/h4-7,15H,8-10,14H2,1-3H3
InChIKeyNYNPYKXUQCDHDE-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.56
Rot. Bonds6

About 2-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine

2-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine (PubChem CID 115132209) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
PubChem CID115132209
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
SMILESCOc1ccccc1CCNC(C)(C)CN
InChIInChI=1S/C13H22N2O/c1-13(2,10-14)15-9-8-11-6-4-5-7-12(11)16-3/h4-7,15H,8-10,14H2,1-3H3
InChIKeyNYNPYKXUQCDHDE-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-methoxyphenyl)ethylamino]-2-methylpropanoic acid
CID 94687146
1-N-[2-(2-methoxyphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222479
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
3-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 106259906
N'-[2-(2-methoxyphenyl)ethyl]butane-1,4-diamine
CID 115201470
N-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 15179102
2-[[1-amino-3-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]ethanol
CID 65380128
3-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylbutane-1,3-diamine
CID 115134910
1-(3,3-dimethylbutyl)-2-methoxybenzene
CID 15437580
3-amino-N-[2-(2-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide
CID 106260825
2-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine
CID 106345493
N'-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,3-diamine
CID 115198802

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine (CID 115132209) is 2-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine is COc1ccccc1CCNC(C)(C)CN.
What is the InChIKey of 2-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine?
The InChIKey is NYNPYKXUQCDHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(2,10-14)15-9-8-11-6-4-5-7-12(11)16-3/h4-7,15H,8-10,14H2,1-3H3.
What are the key properties of 2-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine?
2-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 1.56, 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-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine is sourced from PubChem (CID 115132209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).