N-methyl-N-(oxolan-3-yl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine

C16H26N2O — CID 82754002

IUPACN-methyl-N-(oxolan-3-yl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCC(c1ccccc1)N(C)C1CCOC1
InChIInChI=1S/C16H26N2O/c1-13(2)17-11-16(14-7-5-4-6-8-14)18(3)15-9-10-19-12-15/h4-8,13,15-17H,9-12H2,1-3H3
InChIKeyRKSPHLAGRFBAFR-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.45
Rot. Bonds6

About N-methyl-N-(oxolan-3-yl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine

N-methyl-N-(oxolan-3-yl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 82754002) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-methyl-N-(oxolan-3-yl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(oxolan-3-yl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID82754002
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-methyl-N-(oxolan-3-yl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCC(c1ccccc1)N(C)C1CCOC1
InChIInChI=1S/C16H26N2O/c1-13(2)17-11-16(14-7-5-4-6-8-14)18(3)15-9-10-19-12-15/h4-8,13,15-17H,9-12H2,1-3H3
InChIKeyRKSPHLAGRFBAFR-UHFFFAOYSA-N
XLogP2.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N-methyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62417209
N-cyclopropyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62420532
N-methyl-N-(oxan-4-yl)-1-phenylpropane-1,3-diamine
CID 62779870
3-methoxy-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propan-2-ylpropane-1,2-diamine
CID 103227138
1-(2-fluorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
CID 82733450
3-[methyl(oxolan-3-yl)amino]-2-phenylpropanenitrile
CID 82738157
(3R)-N-benzyl-N-methyloxolan-3-amine
CID 178043856
1-N,2-N-dimethyl-2-N-(oxolan-3-yl)propane-1,2-diamine
CID 82753910
2-[1-[methyl(oxolan-3-yl)amino]ethyl]benzene-1,3-diol
CID 107712028
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 63274242
N'-tert-butyl-N-cyclohexyl-N-methyl-1-phenylethane-1,2-diamine
CID 62423722
1-N-cyclopropyl-2-N-methyl-2-N-(oxolan-3-yl)propane-1,2-diamine
CID 82754795

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-3-yl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-methyl-N-(oxolan-3-yl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine (CID 82754002) is N-methyl-N-(oxolan-3-yl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(oxolan-3-yl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(oxolan-3-yl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine is CC(C)NCC(c1ccccc1)N(C)C1CCOC1.
What is the InChIKey of N-methyl-N-(oxolan-3-yl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is RKSPHLAGRFBAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(2)17-11-16(14-7-5-4-6-8-14)18(3)15-9-10-19-12-15/h4-8,13,15-17H,9-12H2,1-3H3.
What are the key properties of N-methyl-N-(oxolan-3-yl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine?
N-methyl-N-(oxolan-3-yl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-3-yl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 82754002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).