1-N-butan-2-yl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine

C16H28N2O — CID 55016003

IUPAC1-N-butan-2-yl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine
SMILESCCC(N)C(c1ccc(OC)cc1)N(C)C(C)CC
InChIInChI=1S/C16H28N2O/c1-6-12(3)18(4)16(15(17)7-2)13-8-10-14(19-5)11-9-13/h8-12,15-16H,6-7,17H2,1-5H3
InChIKeyLGLSBVLZTKUSOK-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.20
Rot. Bonds7

About 1-N-butan-2-yl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine

1-N-butan-2-yl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine (PubChem CID 55016003) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-N-butan-2-yl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-butan-2-yl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine
PubChem CID55016003
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-N-butan-2-yl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine
SMILESCCC(N)C(c1ccc(OC)cc1)N(C)C(C)CC
InChIInChI=1S/C16H28N2O/c1-6-12(3)18(4)16(15(17)7-2)13-8-10-14(19-5)11-9-13/h8-12,15-16H,6-7,17H2,1-5H3
InChIKeyLGLSBVLZTKUSOK-UHFFFAOYSA-N
XLogP3.20
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]propan-1-ol
CID 104551290
1-N-cyclopropyl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine
CID 55015809
2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]acetamide
CID 55016146
1-(4-methoxyphenyl)-1-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 55016192
2-[[2-amino-1-(4-methoxyphenyl)butyl]-ethylamino]acetamide
CID 103101362
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
1-(4-methoxyphenyl)-1-N-methyl-1-N-(2-methyloxolan-3-yl)butane-1,2-diamine
CID 82733107
1-N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 55016241
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
N-butan-2-yl-4-methoxy-N-methylaniline
CID 154139532
1-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 57010651
1-(4-methoxyphenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 43570775

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine?
The IUPAC name of 1-N-butan-2-yl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine (CID 55016003) is 1-N-butan-2-yl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine.
What is the SMILES notation for 1-N-butan-2-yl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine?
The canonical SMILES for 1-N-butan-2-yl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine is CCC(N)C(c1ccc(OC)cc1)N(C)C(C)CC.
What is the InChIKey of 1-N-butan-2-yl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine?
The InChIKey is LGLSBVLZTKUSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-12(3)18(4)16(15(17)7-2)13-8-10-14(19-5)11-9-13/h8-12,15-16H,6-7,17H2,1-5H3.
What are the key properties of 1-N-butan-2-yl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine?
1-N-butan-2-yl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-yl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine is sourced from PubChem (CID 55016003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).