N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine

C15H26N2O — CID 113405438

IUPACN-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCOc1ccccc1CCNCCNCC(C)C
InChIInChI=1S/C15H26N2O/c1-13(2)12-17-11-10-16-9-8-14-6-4-5-7-15(14)18-3/h4-7,13,16-17H,8-12H2,1-3H3
InChIKeyDEGCJXWPZVQZMZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.07
Rot. Bonds9

About N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine

N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 113405438) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID113405438
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCOc1ccccc1CCNCCNCC(C)C
InChIInChI=1S/C15H26N2O/c1-13(2)12-17-11-10-16-9-8-14-6-4-5-7-15(14)18-3/h4-7,13,16-17H,8-12H2,1-3H3
InChIKeyDEGCJXWPZVQZMZ-UHFFFAOYSA-N
XLogP2.07
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.07
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]-2-methylpropane-1,3-diamine
CID 115198802
N-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropylamino)propanamide
CID 109012770
4-[2-(2-methoxyphenyl)ethylamino]butan-2-ol
CID 106261294
1-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropyl)thiourea
CID 19649703
3-methoxy-N-[2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 106261296
3-[2-(2-methoxyphenyl)ethylamino]propane-1-thiol
CID 115225180
methyl 2-bromo-3-[2-(2-methoxyphenyl)ethylamino]propanoate
CID 106261817
N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]-2-methylpropan-1-amine
CID 81048737
N'-[2-(2-methoxyphenyl)ethyl]butane-1,4-diamine
CID 115201470
4-(2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine
CID 64664350
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]-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine (CID 113405438) is N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine is COc1ccccc1CCNCCNCC(C)C.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is DEGCJXWPZVQZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-13(2)12-17-11-10-16-9-8-14-6-4-5-7-15(14)18-3/h4-7,13,16-17H,8-12H2,1-3H3.
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine?
N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.07, 9 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]-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 113405438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).