N-(1-cyclopropylethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methylethane-1,2-diamine

C18H30N2O — CID 65487899

IUPACN-(1-cyclopropylethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methylethane-1,2-diamine
SMILESCOc1ccccc1CC(C)N(C)CCNC(C)C1CC1
InChIInChI=1S/C18H30N2O/c1-14(13-17-7-5-6-8-18(17)21-4)20(3)12-11-19-15(2)16-9-10-16/h5-8,14-16,19H,9-13H2,1-4H3
InChIKeyJXJCSJDDGMMMKB-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.95
Rot. Bonds9

About N-(1-cyclopropylethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methylethane-1,2-diamine

N-(1-cyclopropylethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methylethane-1,2-diamine (PubChem CID 65487899) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methylethane-1,2-diamine
PubChem CID65487899
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(1-cyclopropylethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methylethane-1,2-diamine
SMILESCOc1ccccc1CC(C)N(C)CCNC(C)C1CC1
InChIInChI=1S/C18H30N2O/c1-14(13-17-7-5-6-8-18(17)21-4)20(3)12-11-19-15(2)16-9-10-16/h5-8,14-16,19H,9-13H2,1-4H3
InChIKeyJXJCSJDDGMMMKB-UHFFFAOYSA-N
XLogP2.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanenitrile
CID 65487029
5-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pentan-1-ol
CID 65486301
N-(1-cyclopropylethyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 62557377
4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-methylbutan-2-ol
CID 79361996
1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 65018291
1-cyclopropyl-3-(2-methoxyphenyl)propane-1,2-diol
CID 103456984
trans-(1S,2S)-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]cyclohexan-1-ol
CID 102732198
3-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-amine
CID 65486545
3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N-methyl-2-N-propylbutane-2,3-diamine
CID 65487593
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclopropanecarboximidamide
CID 65486598
1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine
CID 65487594
2-amino-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid
CID 65486323

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methylethane-1,2-diamine?
The IUPAC name of N-(1-cyclopropylethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methylethane-1,2-diamine (CID 65487899) is N-(1-cyclopropylethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(1-cyclopropylethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(1-cyclopropylethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methylethane-1,2-diamine is COc1ccccc1CC(C)N(C)CCNC(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methylethane-1,2-diamine?
The InChIKey is JXJCSJDDGMMMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(13-17-7-5-6-8-18(17)21-4)20(3)12-11-19-15(2)16-9-10-16/h5-8,14-16,19H,9-13H2,1-4H3.
What are the key properties of N-(1-cyclopropylethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methylethane-1,2-diamine?
N-(1-cyclopropylethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methylethane-1,2-diamine has a molecular weight of 290.45 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 65487899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).