1-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1-phenylpropane-1,2-diamine

C18H30N2O — CID 63727332

IUPAC1-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1-phenylpropane-1,2-diamine
SMILESCCNC(c1ccccc1)C(C)N(C)CC1CCCOC1
InChIInChI=1S/C18H30N2O/c1-4-19-18(17-10-6-5-7-11-17)15(2)20(3)13-16-9-8-12-21-14-16/h5-7,10-11,15-16,18-19H,4,8-9,12-14H2,1-3H3
InChIKeyHVWKNNJZHQZWCR-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.08
Rot. Bonds7

About 1-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1-phenylpropane-1,2-diamine

1-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1-phenylpropane-1,2-diamine (PubChem CID 63727332) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1-phenylpropane-1,2-diamine
PubChem CID63727332
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1-phenylpropane-1,2-diamine
SMILESCCNC(c1ccccc1)C(C)N(C)CC1CCCOC1
InChIInChI=1S/C18H30N2O/c1-4-19-18(17-10-6-5-7-11-17)15(2)20(3)13-16-9-8-12-21-14-16/h5-7,10-11,15-16,18-19H,4,8-9,12-14H2,1-3H3
InChIKeyHVWKNNJZHQZWCR-UHFFFAOYSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)butane-2,3-diamine
CID 63727178
N-methyl-N-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine
CID 63726928
2-methyl-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine
CID 54905602
2-[methyl(oxan-3-ylmethyl)amino]-2-phenylacetohydrazide
CID 63707200
N-ethyl-3-(oxan-3-yl)-1-phenylpropan-1-amine
CID 107137812
4-[1-(ethylamino)ethyl]-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 63712227
3-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide
CID 80551191
4-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]aniline
CID 63726580
1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-ol
CID 63712304
3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanenitrile
CID 64538378
3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanoic acid
CID 63707876
1-(3-methoxyphenyl)-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine
CID 63726760

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1-phenylpropane-1,2-diamine (CID 63727332) is 1-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1-phenylpropane-1,2-diamine is CCNC(c1ccccc1)C(C)N(C)CC1CCCOC1.
What is the InChIKey of 1-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1-phenylpropane-1,2-diamine?
The InChIKey is HVWKNNJZHQZWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-19-18(17-10-6-5-7-11-17)15(2)20(3)13-16-9-8-12-21-14-16/h5-7,10-11,15-16,18-19H,4,8-9,12-14H2,1-3H3.
What are the key properties of 1-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1-phenylpropane-1,2-diamine?
1-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1-phenylpropane-1,2-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1-phenylpropane-1,2-diamine is sourced from PubChem (CID 63727332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).