1-N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine

C16H26N2O — CID 55016241

IUPAC1-N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine
SMILESCOc1ccc(C(C(C)N)N(C)C(C)C2CC2)cc1
InChIInChI=1S/C16H26N2O/c1-11(17)16(18(3)12(2)13-5-6-13)14-7-9-15(19-4)10-8-14/h7-13,16H,5-6,17H2,1-4H3
InChIKeyFCINPFUASSXLGM-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.81
Rot. Bonds6

About 1-N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine

1-N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine (PubChem CID 55016241) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine
PubChem CID55016241
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine
SMILESCOc1ccc(C(C(C)N)N(C)C(C)C2CC2)cc1
InChIInChI=1S/C16H26N2O/c1-11(17)16(18(3)12(2)13-5-6-13)14-7-9-15(19-4)10-8-14/h7-13,16H,5-6,17H2,1-4H3
InChIKeyFCINPFUASSXLGM-UHFFFAOYSA-N
XLogP2.81
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-1-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 55016192
1-N-butan-2-yl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine
CID 55016003
1-N-cyclopropyl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine
CID 55015809
3-(4-methoxyphenyl)butan-2-amine
CID 54524041
3-[[2-amino-1-(4-methoxyphenyl)propyl]-methylamino]-2-methylpropanenitrile
CID 55016148
[(S)-cyclopropyl-(4-methoxyphenyl)methyl]azanium
CID 7557024
1-[chloro(cyclopropyl)methyl]-4-methoxybenzene
CID 61081177
N'-(1-cyclopropylethyl)-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 43569070
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096
3-(4-methoxyphenyl)butan-2-amine;hydrochloride
CID 170910507
2-[[2-amino-1-(4-methoxyphenyl)propyl]-methylamino]-N-methylacetamide
CID 55016193
4-amino-N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pentanamide
CID 120561869

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine (CID 55016241) is 1-N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine is COc1ccc(C(C(C)N)N(C)C(C)C2CC2)cc1.
What is the InChIKey of 1-N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine?
The InChIKey is FCINPFUASSXLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11(17)16(18(3)12(2)13-5-6-13)14-7-9-15(19-4)10-8-14/h7-13,16H,5-6,17H2,1-4H3.
What are the key properties of 1-N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine?
1-N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 55016241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).