N-ethyl-N'-methyl-N'-(2-methyloxolan-3-yl)-1-phenylpropane-1,3-diamine

C17H28N2O — CID 82743525

IUPACN-ethyl-N'-methyl-N'-(2-methyloxolan-3-yl)-1-phenylpropane-1,3-diamine
SMILESCCNC(CCN(C)C1CCOC1C)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-4-18-16(15-8-6-5-7-9-15)10-12-19(3)17-11-13-20-14(17)2/h5-9,14,16-18H,4,10-13H2,1-3H3
InChIKeyOSPLVOLXRVVMPE-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.84
Rot. Bonds7

About N-ethyl-N'-methyl-N'-(2-methyloxolan-3-yl)-1-phenylpropane-1,3-diamine

N-ethyl-N'-methyl-N'-(2-methyloxolan-3-yl)-1-phenylpropane-1,3-diamine (PubChem CID 82743525) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N'-(2-methyloxolan-3-yl)-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N'-(2-methyloxolan-3-yl)-1-phenylpropane-1,3-diamine
PubChem CID82743525
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-ethyl-N'-methyl-N'-(2-methyloxolan-3-yl)-1-phenylpropane-1,3-diamine
SMILESCCNC(CCN(C)C1CCOC1C)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-4-18-16(15-8-6-5-7-9-15)10-12-19(3)17-11-13-20-14(17)2/h5-9,14,16-18H,4,10-13H2,1-3H3
InChIKeyOSPLVOLXRVVMPE-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82744250
N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)-1-phenylpropane-1,3-diamine
CID 62611613
1-N-methyl-1-N-(2-methyloxolan-3-yl)-3-N-propylbutane-1,3-diamine
CID 82735550
N'-cyclopropyl-N-ethyl-1-phenyl-N'-propylpropane-1,3-diamine
CID 62612116
3-[methyl-(2-methyloxolan-3-yl)amino]-2-phenylpropane-1-thiol
CID 82745986
N'-methyl-N'-(2-methyloxolan-3-yl)-2-phenylpropane-1,3-diamine
CID 82733792
1-(3-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 82743304
N'-[2-(dimethylamino)ethyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 63700866
4-[methyl-(2-methyloxolan-3-yl)amino]butan-2-ol
CID 82748524
4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)butanoic acid
CID 82743312
1-(2-fluorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 82743779
N'-benzyl-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 62613091

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N'-(2-methyloxolan-3-yl)-1-phenylpropane-1,3-diamine?
The IUPAC name of N-ethyl-N'-methyl-N'-(2-methyloxolan-3-yl)-1-phenylpropane-1,3-diamine (CID 82743525) is N-ethyl-N'-methyl-N'-(2-methyloxolan-3-yl)-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-N'-(2-methyloxolan-3-yl)-1-phenylpropane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-methyl-N'-(2-methyloxolan-3-yl)-1-phenylpropane-1,3-diamine is CCNC(CCN(C)C1CCOC1C)c1ccccc1.
What is the InChIKey of N-ethyl-N'-methyl-N'-(2-methyloxolan-3-yl)-1-phenylpropane-1,3-diamine?
The InChIKey is OSPLVOLXRVVMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-18-16(15-8-6-5-7-9-15)10-12-19(3)17-11-13-20-14(17)2/h5-9,14,16-18H,4,10-13H2,1-3H3.
What are the key properties of N-ethyl-N'-methyl-N'-(2-methyloxolan-3-yl)-1-phenylpropane-1,3-diamine?
N-ethyl-N'-methyl-N'-(2-methyloxolan-3-yl)-1-phenylpropane-1,3-diamine has a molecular weight of 276.42 g/mol, XLogP of 2.84, 7 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'-(2-methyloxolan-3-yl)-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 82743525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).