1-N-cyclopropyl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine

C15H24N2O — CID 55015809

IUPAC1-N-cyclopropyl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine
SMILESCCC(N)C(c1ccc(OC)cc1)N(C)C1CC1
InChIInChI=1S/C15H24N2O/c1-4-14(16)15(17(2)12-7-8-12)11-5-9-13(18-3)10-6-11/h5-6,9-10,12,14-15H,4,7-8,16H2,1-3H3
InChIKeyIUKAZUGBPVEUNX-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.57
Rot. Bonds6

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

1-N-cyclopropyl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine (PubChem CID 55015809) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-N-cyclopropyl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine
PubChem CID55015809
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-N-cyclopropyl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine
SMILESCCC(N)C(c1ccc(OC)cc1)N(C)C1CC1
InChIInChI=1S/C15H24N2O/c1-4-14(16)15(17(2)12-7-8-12)11-5-9-13(18-3)10-6-11/h5-6,9-10,12,14-15H,4,7-8,16H2,1-3H3
InChIKeyIUKAZUGBPVEUNX-UHFFFAOYSA-N
XLogP2.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-cyclopropyl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-1-N-cyclopropyl-1-N-methylbutane-1,2-diamine
CID 55015474
1-(4-methoxyphenyl)-1-N-methyl-1-N-(2-methyloxolan-3-yl)butane-1,2-diamine
CID 82733107
1-N-butan-2-yl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine
CID 55016003
2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]propan-1-ol
CID 104551290
2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]acetamide
CID 55016146
1-N-methyl-1-N-(4-methylcyclohexyl)-1-(3-methylphenyl)butane-1,2-diamine
CID 63406157
2-[[2-amino-1-(4-methoxyphenyl)butyl]-ethylamino]acetamide
CID 103101362
1-N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 55016241
1-(cyclopropylmethoxy)-1-(4-methoxyphenyl)butan-2-amine
CID 55015865
1-N-cyclopropyl-1-N-methyl-1,3-diphenylpropane-1,2-diamine
CID 43264930
2-N-cyclopropyl-1-(4-methoxyphenyl)-2-N-propylpropane-1,2-diamine
CID 43270350
2-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]cyclohexan-1-ol
CID 102631590

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine (CID 55015809) is 1-N-cyclopropyl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine is CCC(N)C(c1ccc(OC)cc1)N(C)C1CC1.
What is the InChIKey of 1-N-cyclopropyl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine?
The InChIKey is IUKAZUGBPVEUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-14(16)15(17(2)12-7-8-12)11-5-9-13(18-3)10-6-11/h5-6,9-10,12,14-15H,4,7-8,16H2,1-3H3.
What are the key properties of 1-N-cyclopropyl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine?
1-N-cyclopropyl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine is sourced from PubChem (CID 55015809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).