2-N-(cyclobutylmethyl)-2-N-ethyl-3-(2-methoxyphenyl)-2-methylpropane-1,2-diamine

C18H30N2O — CID 107397731

IUPAC2-N-(cyclobutylmethyl)-2-N-ethyl-3-(2-methoxyphenyl)-2-methylpropane-1,2-diamine
SMILESCCN(CC1CCC1)C(C)(CN)Cc1ccccc1OC
InChIInChI=1S/C18H30N2O/c1-4-20(13-15-8-7-9-15)18(2,14-19)12-16-10-5-6-11-17(16)21-3/h5-6,10-11,15H,4,7-9,12-14,19H2,1-3H3
InChIKeyOVEBZNFYFRRDEM-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.08
Rot. Bonds8

About 2-N-(cyclobutylmethyl)-2-N-ethyl-3-(2-methoxyphenyl)-2-methylpropane-1,2-diamine

2-N-(cyclobutylmethyl)-2-N-ethyl-3-(2-methoxyphenyl)-2-methylpropane-1,2-diamine (PubChem CID 107397731) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-N-(cyclobutylmethyl)-2-N-ethyl-3-(2-methoxyphenyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclobutylmethyl)-2-N-ethyl-3-(2-methoxyphenyl)-2-methylpropane-1,2-diamine
PubChem CID107397731
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-N-(cyclobutylmethyl)-2-N-ethyl-3-(2-methoxyphenyl)-2-methylpropane-1,2-diamine
SMILESCCN(CC1CCC1)C(C)(CN)Cc1ccccc1OC
InChIInChI=1S/C18H30N2O/c1-4-20(13-15-8-7-9-15)18(2,14-19)12-16-10-5-6-11-17(16)21-3/h5-6,10-11,15H,4,7-9,12-14,19H2,1-3H3
InChIKeyOVEBZNFYFRRDEM-UHFFFAOYSA-N
XLogP3.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N',2-N'-diethyl-1-(2-methoxyphenyl)propane-2,2-diamine
CID 84752665
2-N-(cyclopropylmethyl)-2-N-ethyl-3-(4-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831441
2-N-ethyl-2-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine
CID 104791386
3-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-amine
CID 65486545
2-N,2-N-diethyl-2-methyl-3-naphthalen-1-ylpropane-1,2-diamine
CID 84746535
2-[3-amino-2-(diethylamino)-2-methylpropyl]-6-ethoxyphenol
CID 84746530
3-(2-methoxyphenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine
CID 114544621
2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N,2-dimethylpentane-1,2-diamine
CID 65484874
2-N-(cyclobutylmethyl)-3-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831363
2-N-ethyl-2-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine
CID 113453505
2,3,3,3-tetrafluoro-2-[(2-methoxyphenyl)methyl]propan-1-amine
CID 115046789
1-methoxy-2-[(4-propylcyclohexyl)methyl]benzene
CID 141394597

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclobutylmethyl)-2-N-ethyl-3-(2-methoxyphenyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(cyclobutylmethyl)-2-N-ethyl-3-(2-methoxyphenyl)-2-methylpropane-1,2-diamine (CID 107397731) is 2-N-(cyclobutylmethyl)-2-N-ethyl-3-(2-methoxyphenyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclobutylmethyl)-2-N-ethyl-3-(2-methoxyphenyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(cyclobutylmethyl)-2-N-ethyl-3-(2-methoxyphenyl)-2-methylpropane-1,2-diamine is CCN(CC1CCC1)C(C)(CN)Cc1ccccc1OC.
What is the InChIKey of 2-N-(cyclobutylmethyl)-2-N-ethyl-3-(2-methoxyphenyl)-2-methylpropane-1,2-diamine?
The InChIKey is OVEBZNFYFRRDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-20(13-15-8-7-9-15)18(2,14-19)12-16-10-5-6-11-17(16)21-3/h5-6,10-11,15H,4,7-9,12-14,19H2,1-3H3.
What are the key properties of 2-N-(cyclobutylmethyl)-2-N-ethyl-3-(2-methoxyphenyl)-2-methylpropane-1,2-diamine?
2-N-(cyclobutylmethyl)-2-N-ethyl-3-(2-methoxyphenyl)-2-methylpropane-1,2-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclobutylmethyl)-2-N-ethyl-3-(2-methoxyphenyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 107397731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).