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

C18H30N2O — CID 62611613

IUPACN-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)-1-phenylpropane-1,3-diamine
SMILESCCNC(CCN(C)CC1CCCCO1)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-3-19-18(16-9-5-4-6-10-16)12-13-20(2)15-17-11-7-8-14-21-17/h4-6,9-10,17-19H,3,7-8,11-15H2,1-2H3
InChIKeyNQGHEJDUWOMZBE-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.23
Rot. Bonds8

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

N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)-1-phenylpropane-1,3-diamine (PubChem CID 62611613) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)-1-phenylpropane-1,3-diamine
PubChem CID62611613
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)-1-phenylpropane-1,3-diamine
SMILESCCNC(CCN(C)CC1CCCCO1)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-3-19-18(16-9-5-4-6-10-16)12-13-20(2)15-17-11-7-8-14-21-17/h4-6,9-10,17-19H,3,7-8,11-15H2,1-2H3
InChIKeyNQGHEJDUWOMZBE-UHFFFAOYSA-N
XLogP3.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)-1-phenylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[methyl(oxan-2-ylmethyl)amino]-1-phenylpropan-1-ol
CID 62613757
N,N'-dimethyl-1-(2-methylphenyl)-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62630443
N'-ethyl-N-methyl-N'-(oxolan-2-ylmethyl)-1-phenylpropane-1,3-diamine
CID 62612291
N-ethyl-N'-methyl-N'-(2-methyloxolan-3-yl)-1-phenylpropane-1,3-diamine
CID 82743525
1-(3-bromophenyl)-N'-(cyclopentylmethyl)-N-ethyl-N'-methylpropane-1,3-diamine
CID 63633029
2-[1-(ethylamino)propyl]-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 115994967
3-[methyl(oxan-2-ylmethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62624909
N'-[2-(dimethylamino)ethyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 63700866
2-(ethylamino)-4-[methyl(oxolan-2-ylmethyl)amino]butan-1-ol
CID 64825351
N'-benzyl-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 62613091
N'-(cyclopentylmethyl)-N-ethyl-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 63633032
N-ethyl-1-(2-fluorophenyl)-3-(oxan-2-yl)propan-1-amine
CID 115827795

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)-1-phenylpropane-1,3-diamine?
The IUPAC name of N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)-1-phenylpropane-1,3-diamine (CID 62611613) is N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)-1-phenylpropane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)-1-phenylpropane-1,3-diamine is CCNC(CCN(C)CC1CCCCO1)c1ccccc1.
What is the InChIKey of N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)-1-phenylpropane-1,3-diamine?
The InChIKey is NQGHEJDUWOMZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-19-18(16-9-5-4-6-10-16)12-13-20(2)15-17-11-7-8-14-21-17/h4-6,9-10,17-19H,3,7-8,11-15H2,1-2H3.
What are the key properties of N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)-1-phenylpropane-1,3-diamine?
N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)-1-phenylpropane-1,3-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 62611613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).