2-[1-(ethylamino)propyl]-N-methyl-N-(oxan-2-ylmethyl)aniline

C18H30N2O — CID 115994967

IUPAC2-[1-(ethylamino)propyl]-N-methyl-N-(oxan-2-ylmethyl)aniline
SMILESCCNC(CC)c1ccccc1N(C)CC1CCCCO1
InChIInChI=1S/C18H30N2O/c1-4-17(19-5-2)16-11-6-7-12-18(16)20(3)14-15-10-8-9-13-21-15/h6-7,11-12,15,17,19H,4-5,8-10,13-14H2,1-3H3
InChIKeyXAXVXBIDZCOIDN-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.75
Rot. Bonds7

About 2-[1-(ethylamino)propyl]-N-methyl-N-(oxan-2-ylmethyl)aniline

2-[1-(ethylamino)propyl]-N-methyl-N-(oxan-2-ylmethyl)aniline (PubChem CID 115994967) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[1-(ethylamino)propyl]-N-methyl-N-(oxan-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-[1-(ethylamino)propyl]-N-methyl-N-(oxan-2-ylmethyl)aniline
PubChem CID115994967
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-[1-(ethylamino)propyl]-N-methyl-N-(oxan-2-ylmethyl)aniline
SMILESCCNC(CC)c1ccccc1N(C)CC1CCCCO1
InChIInChI=1S/C18H30N2O/c1-4-17(19-5-2)16-11-6-7-12-18(16)20(3)14-15-10-8-9-13-21-15/h6-7,11-12,15,17,19H,4-5,8-10,13-14H2,1-3H3
InChIKeyXAXVXBIDZCOIDN-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 61431770
N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)-1-phenylpropane-1,3-diamine
CID 62611613
2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432443
N-(cyclopropylmethyl)-N-methyl-2-[1-(propylamino)propyl]aniline
CID 112677945
N-ethyl-1-(2-fluorophenyl)-3-(oxan-2-yl)propan-1-amine
CID 115827795
4-[1-(ethylamino)ethyl]-2-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432233
2-[(tert-butylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 63059546
1-[2-(oxan-2-ylmethoxy)phenyl]-N-propylpropan-1-amine
CID 43591765
N-methyl-2-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline
CID 61431971
2-[1-(ethylamino)propyl]-N-(furan-2-ylmethyl)-N-methylaniline
CID 115994861
[1-(2-methylphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267276
2-[1-(ethylamino)propyl]-N-(furan-3-ylmethyl)-N-methylaniline
CID 115994953

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)propyl]-N-methyl-N-(oxan-2-ylmethyl)aniline?
The IUPAC name of 2-[1-(ethylamino)propyl]-N-methyl-N-(oxan-2-ylmethyl)aniline (CID 115994967) is 2-[1-(ethylamino)propyl]-N-methyl-N-(oxan-2-ylmethyl)aniline.
What is the SMILES notation for 2-[1-(ethylamino)propyl]-N-methyl-N-(oxan-2-ylmethyl)aniline?
The canonical SMILES for 2-[1-(ethylamino)propyl]-N-methyl-N-(oxan-2-ylmethyl)aniline is CCNC(CC)c1ccccc1N(C)CC1CCCCO1.
What is the InChIKey of 2-[1-(ethylamino)propyl]-N-methyl-N-(oxan-2-ylmethyl)aniline?
The InChIKey is XAXVXBIDZCOIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-17(19-5-2)16-11-6-7-12-18(16)20(3)14-15-10-8-9-13-21-15/h6-7,11-12,15,17,19H,4-5,8-10,13-14H2,1-3H3.
What are the key properties of 2-[1-(ethylamino)propyl]-N-methyl-N-(oxan-2-ylmethyl)aniline?
2-[1-(ethylamino)propyl]-N-methyl-N-(oxan-2-ylmethyl)aniline has a molecular weight of 290.45 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylamino)propyl]-N-methyl-N-(oxan-2-ylmethyl)aniline is sourced from PubChem (CID 115994967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).