N,N-dimethyl-N'-(oxolan-2-ylmethyl)-1-phenylethane-1,2-diamine

C15H24N2O — CID 78914378

IUPACN,N-dimethyl-N'-(oxolan-2-ylmethyl)-1-phenylethane-1,2-diamine
SMILESCN(C)C(CNCC1CCCO1)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-17(2)15(13-7-4-3-5-8-13)12-16-11-14-9-6-10-18-14/h3-5,7-8,14-16H,6,9-12H2,1-2H3
InChIKeyDDAVZANSUDXVAT-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.06
Rot. Bonds6

About N,N-dimethyl-N'-(oxolan-2-ylmethyl)-1-phenylethane-1,2-diamine

N,N-dimethyl-N'-(oxolan-2-ylmethyl)-1-phenylethane-1,2-diamine (PubChem CID 78914378) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N,N-dimethyl-N'-(oxolan-2-ylmethyl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-(oxolan-2-ylmethyl)-1-phenylethane-1,2-diamine
PubChem CID78914378
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN,N-dimethyl-N'-(oxolan-2-ylmethyl)-1-phenylethane-1,2-diamine
SMILESCN(C)C(CNCC1CCCO1)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-17(2)15(13-7-4-3-5-8-13)12-16-11-14-9-6-10-18-14/h3-5,7-8,14-16H,6,9-12H2,1-2H3
InChIKeyDDAVZANSUDXVAT-UHFFFAOYSA-N
XLogP2.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine
CID 40654008
N-(oxolan-2-ylmethyl)-2-phenylpropan-1-amine
CID 3366630
3-(oxolan-2-ylmethylamino)-2-phenylpropanenitrile
CID 64533582
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 32729367
1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111010909
2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 62569616
3-[methyl(oxolan-2-ylmethyl)amino]-3-phenylpropanoic acid
CID 63073130
N-[2-(dimethylamino)-2-phenylethyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 43044138
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide
CID 17201904
N,N-diethyl-N'-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine
CID 63736846
2-methyl-N-(oxan-2-ylmethyl)-1-phenylpropan-1-amine
CID 54940930

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(oxolan-2-ylmethyl)-1-phenylethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-(oxolan-2-ylmethyl)-1-phenylethane-1,2-diamine (CID 78914378) is N,N-dimethyl-N'-(oxolan-2-ylmethyl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-(oxolan-2-ylmethyl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-(oxolan-2-ylmethyl)-1-phenylethane-1,2-diamine is CN(C)C(CNCC1CCCO1)c1ccccc1.
What is the InChIKey of N,N-dimethyl-N'-(oxolan-2-ylmethyl)-1-phenylethane-1,2-diamine?
The InChIKey is DDAVZANSUDXVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-17(2)15(13-7-4-3-5-8-13)12-16-11-14-9-6-10-18-14/h3-5,7-8,14-16H,6,9-12H2,1-2H3.
What are the key properties of N,N-dimethyl-N'-(oxolan-2-ylmethyl)-1-phenylethane-1,2-diamine?
N,N-dimethyl-N'-(oxolan-2-ylmethyl)-1-phenylethane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(oxolan-2-ylmethyl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 78914378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).