1-cyclopropyl-N-ethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine

C16H26N2O — CID 63913879

IUPAC1-cyclopropyl-N-ethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCCNC(CN(C)Cc1cccc(OC)c1)C1CC1
InChIInChI=1S/C16H26N2O/c1-4-17-16(14-8-9-14)12-18(2)11-13-6-5-7-15(10-13)19-3/h5-7,10,14,16-17H,4,8-9,11-12H2,1-3H3
InChIKeySQQPKQVWWFFGAH-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.52
Rot. Bonds8

About 1-cyclopropyl-N-ethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine

1-cyclopropyl-N-ethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 63913879) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
PubChem CID63913879
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-cyclopropyl-N-ethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCCNC(CN(C)Cc1cccc(OC)c1)C1CC1
InChIInChI=1S/C16H26N2O/c1-4-17-16(14-8-9-14)12-18(2)11-13-6-5-7-15(10-13)19-3/h5-7,10,14,16-17H,4,8-9,11-12H2,1-3H3
InChIKeySQQPKQVWWFFGAH-UHFFFAOYSA-N
XLogP2.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(dicyclopropylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62558489
(2S)-3-cyclopropyl-1-N-[(3-methoxyphenyl)methyl]-1-N-methylpropane-1,2-diamine
CID 112736512
1-cyclopentyl-N-ethyl-2-(3-methoxyphenoxy)ethanamine
CID 104748428
N-[(3-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 129034350
1-N-[(3-methoxyphenyl)methyl]-1-N,2-N-dimethylpentane-1,2-diamine
CID 62042937
(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-3-propan-2-yloxypropan-2-ol
CID 95357888
3-[(3-methoxyphenyl)methyl-methylamino]propane-1,2-diol
CID 78907088
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 61365344
N-cyclopropyl-2-ethyl-N'-[(3-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 62271920
N-[cyclopropyl-(3-methoxyphenyl)methyl]ethanamine
CID 60820098
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
1-cyclopentyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 61063977

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-ethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine (CID 63913879) is 1-cyclopropyl-N-ethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine is CCNC(CN(C)Cc1cccc(OC)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is SQQPKQVWWFFGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-17-16(14-8-9-14)12-18(2)11-13-6-5-7-15(10-13)19-3/h5-7,10,14,16-17H,4,8-9,11-12H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-ethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
1-cyclopropyl-N-ethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63913879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).