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

C17H28N2O — CID 62612291

IUPACN'-ethyl-N-methyl-N'-(oxolan-2-ylmethyl)-1-phenylpropane-1,3-diamine
SMILESCCN(CCC(NC)c1ccccc1)CC1CCCO1
InChIInChI=1S/C17H28N2O/c1-3-19(14-16-10-7-13-20-16)12-11-17(18-2)15-8-5-4-6-9-15/h4-6,8-9,16-18H,3,7,10-14H2,1-2H3
InChIKeyMPPLOJPKQWUDJW-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.84
Rot. Bonds8

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

N'-ethyl-N-methyl-N'-(oxolan-2-ylmethyl)-1-phenylpropane-1,3-diamine (PubChem CID 62612291) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N'-ethyl-N-methyl-N'-(oxolan-2-ylmethyl)-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N-methyl-N'-(oxolan-2-ylmethyl)-1-phenylpropane-1,3-diamine
PubChem CID62612291
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN'-ethyl-N-methyl-N'-(oxolan-2-ylmethyl)-1-phenylpropane-1,3-diamine
SMILESCCN(CCC(NC)c1ccccc1)CC1CCCO1
InChIInChI=1S/C17H28N2O/c1-3-19(14-16-10-7-13-20-16)12-11-17(18-2)15-8-5-4-6-9-15/h4-6,8-9,16-18H,3,7,10-14H2,1-2H3
InChIKeyMPPLOJPKQWUDJW-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

N'-ethyl-N'-(oxolan-2-ylmethyl)-2-phenylpropane-1,3-diamine
CID 61433987
N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)-1-phenylpropane-1,3-diamine
CID 62611613
N'-(cyclobutylmethyl)-N'-ethyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 107401665
N,N'-dimethyl-1-(2-methylphenyl)-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62630443
1-(4-cyclobutylphenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 116506276
N',2-diethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
CID 81079200
4-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)butanenitrile
CID 63027338
2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(1-phenylbutyl)acetamide
CID 78820947
1-(4-bromophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65154712
N-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine
CID 65167446
1-(4-ethylsulfanylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 106848877
1-N-ethyl-1-N-(oxolan-2-ylmethyl)-2-phenylpropane-1,2-diamine
CID 62487227

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-methyl-N'-(oxolan-2-ylmethyl)-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-N-methyl-N'-(oxolan-2-ylmethyl)-1-phenylpropane-1,3-diamine (CID 62612291) is N'-ethyl-N-methyl-N'-(oxolan-2-ylmethyl)-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N-methyl-N'-(oxolan-2-ylmethyl)-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-N-methyl-N'-(oxolan-2-ylmethyl)-1-phenylpropane-1,3-diamine is CCN(CCC(NC)c1ccccc1)CC1CCCO1.
What is the InChIKey of N'-ethyl-N-methyl-N'-(oxolan-2-ylmethyl)-1-phenylpropane-1,3-diamine?
The InChIKey is MPPLOJPKQWUDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-19(14-16-10-7-13-20-16)12-11-17(18-2)15-8-5-4-6-9-15/h4-6,8-9,16-18H,3,7,10-14H2,1-2H3.
What are the key properties of N'-ethyl-N-methyl-N'-(oxolan-2-ylmethyl)-1-phenylpropane-1,3-diamine?
N'-ethyl-N-methyl-N'-(oxolan-2-ylmethyl)-1-phenylpropane-1,3-diamine has a molecular weight of 276.42 g/mol, XLogP of 2.84, 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'-(oxolan-2-ylmethyl)-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 62612291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).