1-N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-1-N-methylpropane-1,2-diamine

C15H24N2O — CID 55021597

IUPAC1-N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-1-N-methylpropane-1,2-diamine
SMILESCOc1ccccc1C(C(C)N)N(C)CC1CC1
InChIInChI=1S/C15H24N2O/c1-11(16)15(17(2)10-12-8-9-12)13-6-4-5-7-14(13)18-3/h4-7,11-12,15H,8-10,16H2,1-3H3
InChIKeyDRCUNDYVCOMRHP-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.43
Rot. Bonds6

About 1-N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-1-N-methylpropane-1,2-diamine

1-N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-1-N-methylpropane-1,2-diamine (PubChem CID 55021597) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-1-N-methylpropane-1,2-diamine
PubChem CID55021597
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-1-N-methylpropane-1,2-diamine
SMILESCOc1ccccc1C(C(C)N)N(C)CC1CC1
InChIInChI=1S/C15H24N2O/c1-11(16)15(17(2)10-12-8-9-12)13-6-4-5-7-14(13)18-3/h4-7,11-12,15H,8-10,16H2,1-3H3
InChIKeyDRCUNDYVCOMRHP-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine
CID 60984762
3-[[2-amino-1-(2-methoxyphenyl)propyl]-methylamino]propanenitrile
CID 55022271
1-[[[2-amino-1-(2-methoxyphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol
CID 114948138
1-N-(cyclopropylmethyl)-1-N-methyl-1-(2-methylphenyl)butane-1,2-diamine
CID 55017993
1-(3-bromophenyl)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 55019916
1-(2-chlorophenyl)-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine
CID 63727801
N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 79533826
N-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
CID 54884298
N'-(cyclopropylmethyl)-N'-methyl-1-phenylmethanediamine
CID 156529425
1-(2-methoxyphenyl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106623052
2-[1-[cyclopentylmethyl(methyl)amino]ethyl]phenol
CID 82721244
(1R)-N-ethyl-1-(2-methoxyphenyl)-N-methylethanamine
CID 118327627

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-1-N-methylpropane-1,2-diamine (CID 55021597) is 1-N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-1-N-methylpropane-1,2-diamine is COc1ccccc1C(C(C)N)N(C)CC1CC1.
What is the InChIKey of 1-N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-1-N-methylpropane-1,2-diamine?
The InChIKey is DRCUNDYVCOMRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(16)15(17(2)10-12-8-9-12)13-6-4-5-7-14(13)18-3/h4-7,11-12,15H,8-10,16H2,1-3H3.
What are the key properties of 1-N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-1-N-methylpropane-1,2-diamine?
1-N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-1-N-methylpropane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 55021597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).