N,N-diethyl-N'-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine

C18H30N2O — CID 63736846

IUPACN,N-diethyl-N'-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine
SMILESCCN(CC)C(CNCC1CCCOC1)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-3-20(4-2)18(17-10-6-5-7-11-17)14-19-13-16-9-8-12-21-15-16/h5-7,10-11,16,18-19H,3-4,8-9,12-15H2,1-2H3
InChIKeyBFKJPMLBFVRQHQ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.09
Rot. Bonds8

About N,N-diethyl-N'-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine

N,N-diethyl-N'-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine (PubChem CID 63736846) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N,N-diethyl-N'-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-diethyl-N'-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine
PubChem CID63736846
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN,N-diethyl-N'-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine
SMILESCCN(CC)C(CNCC1CCCOC1)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-3-20(4-2)18(17-10-6-5-7-11-17)14-19-13-16-9-8-12-21-15-16/h5-7,10-11,16,18-19H,3-4,8-9,12-15H2,1-2H3
InChIKeyBFKJPMLBFVRQHQ-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(oxolan-3-ylmethyl)-2-phenylbutan-1-amine
CID 103896914
2-methyl-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine
CID 54905602
2-(oxan-3-ylmethylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 61019224
4-[[2-(diethylamino)-2-phenylethyl]amino]oxolan-3-ol
CID 60900945
N,N-dimethyl-N'-(oxolan-2-ylmethyl)-1-phenylethane-1,2-diamine
CID 78914378
N-methyl-N-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine
CID 63726928
2-methyl-N-(oxan-3-ylmethyl)-2-phenylpropan-1-amine
CID 63740219
N'-(oxolan-3-ylmethyl)-2-phenylpropane-1,3-diamine
CID 62878034
2-methyl-N-[3-(oxan-3-yl)-2-phenylpropyl]propan-1-amine
CID 107138126
(3S)-N-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-3-carboxamide
CID 167114525
1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111010909
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-N'-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine?
The IUPAC name of N,N-diethyl-N'-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine (CID 63736846) is N,N-diethyl-N'-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N,N-diethyl-N'-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N,N-diethyl-N'-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine is CCN(CC)C(CNCC1CCCOC1)c1ccccc1.
What is the InChIKey of N,N-diethyl-N'-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine?
The InChIKey is BFKJPMLBFVRQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-20(4-2)18(17-10-6-5-7-11-17)14-19-13-16-9-8-12-21-15-16/h5-7,10-11,16,18-19H,3-4,8-9,12-15H2,1-2H3.
What are the key properties of N,N-diethyl-N'-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine?
N,N-diethyl-N'-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-N'-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 63736846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).