2-N-butan-2-yl-3-(3,4-dimethoxyphenyl)-2-methylpropane-1,2-diamine

C16H28N2O2 — CID 65383072

IUPAC2-N-butan-2-yl-3-(3,4-dimethoxyphenyl)-2-methylpropane-1,2-diamine
SMILESCCC(C)NC(C)(CN)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H28N2O2/c1-6-12(2)18-16(3,11-17)10-13-7-8-14(19-4)15(9-13)20-5/h7-9,12,18H,6,10-11,17H2,1-5H3
InChIKeyCYVQPCMZUMNGMF-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.35
Rot. Bonds8

About 2-N-butan-2-yl-3-(3,4-dimethoxyphenyl)-2-methylpropane-1,2-diamine

2-N-butan-2-yl-3-(3,4-dimethoxyphenyl)-2-methylpropane-1,2-diamine (PubChem CID 65383072) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-N-butan-2-yl-3-(3,4-dimethoxyphenyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-3-(3,4-dimethoxyphenyl)-2-methylpropane-1,2-diamine
PubChem CID65383072
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-N-butan-2-yl-3-(3,4-dimethoxyphenyl)-2-methylpropane-1,2-diamine
SMILESCCC(C)NC(C)(CN)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H28N2O2/c1-6-12(2)18-16(3,11-17)10-13-7-8-14(19-4)15(9-13)20-5/h7-9,12,18H,6,10-11,17H2,1-5H3
InChIKeyCYVQPCMZUMNGMF-UHFFFAOYSA-N
XLogP2.35
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]butan-2-amine
CID 4717032
2-[(3,4-dimethoxyphenyl)methyl]-2-ethylbutan-1-amine
CID 82111063
1-(3,4-dimethoxyphenyl)-2,3-dimethylhexan-2-amine
CID 107892398
3-(aminomethyl)-4-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
CID 66091190
1-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine
CID 43200450
2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid;hydrochloride
CID 154832939
4-(3,4-dimethoxyphenyl)-3-(ethylamino)-3-methylbutanoic acid
CID 65233704
4-amino-3-[(3,4-dimethoxyphenyl)methyl]-3-methylhexan-1-ol
CID 66089148
1-(3,4-dimethoxyphenyl)-3-methylpentan-2-ol
CID 63018781
1-(3-methoxy-4-propan-2-ylphenyl)-2-methylpropan-2-amine
CID 117317079
1-amino-3-(3,4-dimethoxyphenyl)-2-phenylpropan-2-ol
CID 57223105
3-(3,4-dimethoxyphenyl)-N-ethyl-1,1,1-trifluoro-2-methylpropan-2-amine
CID 66204548

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-3-(3,4-dimethoxyphenyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-butan-2-yl-3-(3,4-dimethoxyphenyl)-2-methylpropane-1,2-diamine (CID 65383072) is 2-N-butan-2-yl-3-(3,4-dimethoxyphenyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-butan-2-yl-3-(3,4-dimethoxyphenyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-butan-2-yl-3-(3,4-dimethoxyphenyl)-2-methylpropane-1,2-diamine is CCC(C)NC(C)(CN)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-N-butan-2-yl-3-(3,4-dimethoxyphenyl)-2-methylpropane-1,2-diamine?
The InChIKey is CYVQPCMZUMNGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-6-12(2)18-16(3,11-17)10-13-7-8-14(19-4)15(9-13)20-5/h7-9,12,18H,6,10-11,17H2,1-5H3.
What are the key properties of 2-N-butan-2-yl-3-(3,4-dimethoxyphenyl)-2-methylpropane-1,2-diamine?
2-N-butan-2-yl-3-(3,4-dimethoxyphenyl)-2-methylpropane-1,2-diamine has a molecular weight of 280.41 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-3-(3,4-dimethoxyphenyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 65383072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).