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

C14H24N2O — CID 115222479

IUPAC1-N-[2-(2-methoxyphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
SMILESCNC(C)(C)CNCCc1ccccc1OC
InChIInChI=1S/C14H24N2O/c1-14(2,15-3)11-16-10-9-12-7-5-6-8-13(12)17-4/h5-8,15-16H,9-11H2,1-4H3
InChIKeyPUKQQDHCTHBNJC-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.83
Rot. Bonds7

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

1-N-[2-(2-methoxyphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 115222479) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-N-[2-(2-methoxyphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(2-methoxyphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
PubChem CID115222479
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-N-[2-(2-methoxyphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
SMILESCNC(C)(C)CNCCc1ccccc1OC
InChIInChI=1S/C14H24N2O/c1-14(2,15-3)11-16-10-9-12-7-5-6-8-13(12)17-4/h5-8,15-16H,9-11H2,1-4H3
InChIKeyPUKQQDHCTHBNJC-UHFFFAOYSA-N
XLogP1.83
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.83
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

1-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222301
2-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115132209
1-(3,3-dimethylbutyl)-2-methoxybenzene
CID 15437580
2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106261295
3-methoxy-N-[2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 106261296
3-[2-(2-methoxyphenyl)ethylamino]propane-1-thiol
CID 115225180
N'-[2-(2-methoxyphenyl)ethyl]butane-1,4-diamine
CID 115201470
N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405438
1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136113
2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 2162695
tert-butyl 3-[2-(2-methoxyphenyl)ethylamino]propanoate
CID 106261776
4-[2-(2-methoxyphenyl)ethylamino]butan-2-ol
CID 106261294

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(2-methoxyphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[2-(2-methoxyphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine (CID 115222479) is 1-N-[2-(2-methoxyphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(2-methoxyphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[2-(2-methoxyphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine is CNC(C)(C)CNCCc1ccccc1OC.
What is the InChIKey of 1-N-[2-(2-methoxyphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is PUKQQDHCTHBNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(2,15-3)11-16-10-9-12-7-5-6-8-13(12)17-4/h5-8,15-16H,9-11H2,1-4H3.
What are the key properties of 1-N-[2-(2-methoxyphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine?
1-N-[2-(2-methoxyphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(2-methoxyphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115222479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).