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

C16H26N2O — CID 61433987

IUPACN'-ethyl-N'-(oxolan-2-ylmethyl)-2-phenylpropane-1,3-diamine
SMILESCCN(CC1CCCO1)CC(CN)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-2-18(13-16-9-6-10-19-16)12-15(11-17)14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13,17H2,1H3
InChIKeyOATZPEDSQQQPTK-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.23
Rot. Bonds7

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

N'-ethyl-N'-(oxolan-2-ylmethyl)-2-phenylpropane-1,3-diamine (PubChem CID 61433987) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N'-ethyl-N'-(oxolan-2-ylmethyl)-2-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(oxolan-2-ylmethyl)-2-phenylpropane-1,3-diamine
PubChem CID61433987
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN'-ethyl-N'-(oxolan-2-ylmethyl)-2-phenylpropane-1,3-diamine
SMILESCCN(CC1CCCO1)CC(CN)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-2-18(13-16-9-6-10-19-16)12-15(11-17)14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13,17H2,1H3
InChIKeyOATZPEDSQQQPTK-UHFFFAOYSA-N
XLogP2.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-diethyl-2-phenylpropane-1,3-diamine
CID 43532107
N'-ethyl-N-methyl-N'-(oxolan-2-ylmethyl)-1-phenylpropane-1,3-diamine
CID 62612291
N'-ethyl-1-(4-ethylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61434447
1-N-ethyl-1-N-(oxolan-2-ylmethyl)-2-phenylpropane-1,2-diamine
CID 62487227
2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)-1-phenylbutane-1,2-diamine
CID 61431053
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62431237
3-[ethyl(oxolan-2-ylmethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996544
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 43458835
N'-benzyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61014418
N',2-diethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
CID 81079200
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 144767444
3-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119750532

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(oxolan-2-ylmethyl)-2-phenylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-(oxolan-2-ylmethyl)-2-phenylpropane-1,3-diamine (CID 61433987) is N'-ethyl-N'-(oxolan-2-ylmethyl)-2-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-(oxolan-2-ylmethyl)-2-phenylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-(oxolan-2-ylmethyl)-2-phenylpropane-1,3-diamine is CCN(CC1CCCO1)CC(CN)c1ccccc1.
What is the InChIKey of N'-ethyl-N'-(oxolan-2-ylmethyl)-2-phenylpropane-1,3-diamine?
The InChIKey is OATZPEDSQQQPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-18(13-16-9-6-10-19-16)12-15(11-17)14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13,17H2,1H3.
What are the key properties of N'-ethyl-N'-(oxolan-2-ylmethyl)-2-phenylpropane-1,3-diamine?
N'-ethyl-N'-(oxolan-2-ylmethyl)-2-phenylpropane-1,3-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(oxolan-2-ylmethyl)-2-phenylpropane-1,3-diamine is sourced from PubChem (CID 61433987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).