N'-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,3-diamine

C13H22N2O — CID 115198802

IUPACN'-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,3-diamine
SMILESCOc1ccccc1CCNCC(C)CN
InChIInChI=1S/C13H22N2O/c1-11(9-14)10-15-8-7-12-5-3-4-6-13(12)16-2/h3-6,11,15H,7-10,14H2,1-2H3
InChIKeyIOEICWFOFATOOS-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.42
Rot. Bonds7

About N'-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,3-diamine

N'-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,3-diamine (PubChem CID 115198802) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N'-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,3-diamine
PubChem CID115198802
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN'-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,3-diamine
SMILESCOc1ccccc1CCNCC(C)CN
InChIInChI=1S/C13H22N2O/c1-11(9-14)10-15-8-7-12-5-3-4-6-13(12)16-2/h3-6,11,15H,7-10,14H2,1-2H3
InChIKeyIOEICWFOFATOOS-UHFFFAOYSA-N
XLogP1.42
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405438
4-(2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine
CID 64664350
4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 113266036
2-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine
CID 106345493
methyl 2-bromo-3-[2-(2-methoxyphenyl)ethylamino]propanoate
CID 106261817
5-amino-N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 106260751
3-(2-methoxyphenyl)-2-methylpropan-1-amine
CID 22024848
N'-[2-(2-methoxyphenyl)ethyl]butane-1,4-diamine
CID 115201470
4-[2-(2-methoxyphenyl)ethylamino]butan-2-ol
CID 106261294
1,1-dimethoxy-N-[2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 106259984
3-[2-(2-methoxyphenyl)ethylamino]-2-(methylamino)propanoic acid
CID 115256258
3-hydroxy-4-[2-(2-methoxyphenyl)ethylamino]butanoic acid
CID 106261779

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,3-diamine?
The IUPAC name of N'-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,3-diamine (CID 115198802) is N'-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,3-diamine is COc1ccccc1CCNCC(C)CN.
What is the InChIKey of N'-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,3-diamine?
The InChIKey is IOEICWFOFATOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(9-14)10-15-8-7-12-5-3-4-6-13(12)16-2/h3-6,11,15H,7-10,14H2,1-2H3.
What are the key properties of N'-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,3-diamine?
N'-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,3-diamine has a molecular weight of 222.33 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,3-diamine is sourced from PubChem (CID 115198802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).