2-N-ethyl-4-(4-methoxyphenyl)-2-N,2-dimethylbutane-1,2-diamine

C15H26N2O — CID 54878009

IUPAC2-N-ethyl-4-(4-methoxyphenyl)-2-N,2-dimethylbutane-1,2-diamine
SMILESCCN(C)C(C)(CN)CCc1ccc(OC)cc1
InChIInChI=1S/C15H26N2O/c1-5-17(3)15(2,12-16)11-10-13-6-8-14(18-4)9-7-13/h6-9H,5,10-12,16H2,1-4H3
InChIKeyGTXABIUINUPJEO-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.30
Rot. Bonds7

About 2-N-ethyl-4-(4-methoxyphenyl)-2-N,2-dimethylbutane-1,2-diamine

2-N-ethyl-4-(4-methoxyphenyl)-2-N,2-dimethylbutane-1,2-diamine (PubChem CID 54878009) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-N-ethyl-4-(4-methoxyphenyl)-2-N,2-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-(4-methoxyphenyl)-2-N,2-dimethylbutane-1,2-diamine
PubChem CID54878009
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-N-ethyl-4-(4-methoxyphenyl)-2-N,2-dimethylbutane-1,2-diamine
SMILESCCN(C)C(C)(CN)CCc1ccc(OC)cc1
InChIInChI=1S/C15H26N2O/c1-5-17(3)15(2,12-16)11-10-13-6-8-14(18-4)9-7-13/h6-9H,5,10-12,16H2,1-4H3
InChIKeyGTXABIUINUPJEO-UHFFFAOYSA-N
XLogP2.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-2-N-(1-methoxypropan-2-yl)-2-N,2-dimethylbutane-1,2-diamine
CID 61453212
2-N-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine
CID 55139466
3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylpropyl)propane-1,2-diamine
CID 55169280
3-(aminomethyl)-5-(4-methoxyphenyl)-3-methylpentanoic acid
CID 66097459
1-methoxy-4-[1,1,3-tris(4-methoxyphenyl)propyl]benzene
CID 22900338
ethanamine;1-methoxy-4-propylbenzene
CID 19382800
3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
CID 112658105
3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-phenylpropane-1,2-diamine
CID 60709902
2-N-cyclohexyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 60709719
4-[4-(difluoromethoxy)phenyl]-2-N,2-dimethyl-2-N-propan-2-ylbutane-1,2-diamine
CID 43185277
N'-ethyl-N'-[2-(4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 65428987
2-N-cyclopentyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 63272919

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-(4-methoxyphenyl)-2-N,2-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-ethyl-4-(4-methoxyphenyl)-2-N,2-dimethylbutane-1,2-diamine (CID 54878009) is 2-N-ethyl-4-(4-methoxyphenyl)-2-N,2-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-4-(4-methoxyphenyl)-2-N,2-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-4-(4-methoxyphenyl)-2-N,2-dimethylbutane-1,2-diamine is CCN(C)C(C)(CN)CCc1ccc(OC)cc1.
What is the InChIKey of 2-N-ethyl-4-(4-methoxyphenyl)-2-N,2-dimethylbutane-1,2-diamine?
The InChIKey is GTXABIUINUPJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-17(3)15(2,12-16)11-10-13-6-8-14(18-4)9-7-13/h6-9H,5,10-12,16H2,1-4H3.
What are the key properties of 2-N-ethyl-4-(4-methoxyphenyl)-2-N,2-dimethylbutane-1,2-diamine?
2-N-ethyl-4-(4-methoxyphenyl)-2-N,2-dimethylbutane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-(4-methoxyphenyl)-2-N,2-dimethylbutane-1,2-diamine is sourced from PubChem (CID 54878009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).