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

C15H24N2O — CID 63726928

IUPACN-methyl-N-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine
SMILESCN(CC1CCCOC1)C(CN)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-17(11-13-6-5-9-18-12-13)15(10-16)14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12,16H2,1H3
InChIKeyUQBMWIOBUWNVAP-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.04
Rot. Bonds5

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

N-methyl-N-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine (PubChem CID 63726928) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-methyl-N-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine
PubChem CID63726928
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-methyl-N-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine
SMILESCN(CC1CCCOC1)C(CN)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-17(11-13-6-5-9-18-12-13)15(10-16)14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12,16H2,1H3
InChIKeyUQBMWIOBUWNVAP-UHFFFAOYSA-N
XLogP2.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopropylphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 79968542
1-(2,3-dimethylphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63725937
1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 65021924
2-[methyl(oxan-3-ylmethyl)amino]-2-phenylacetohydrazide
CID 63707200
1-(2-chloro-6-methoxyphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 104816344
1-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1-phenylpropane-1,2-diamine
CID 63727332
1-(4-chlorothiophen-2-yl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 79427953
N-methyl-N-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine
CID 63726962
4-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]aniline
CID 63726580
2-N-methyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63725583
3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanenitrile
CID 64538378
3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanoic acid
CID 63707876

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine?
The IUPAC name of N-methyl-N-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine (CID 63726928) is N-methyl-N-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine is CN(CC1CCCOC1)C(CN)c1ccccc1.
What is the InChIKey of N-methyl-N-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine?
The InChIKey is UQBMWIOBUWNVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-17(11-13-6-5-9-18-12-13)15(10-16)14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12,16H2,1H3.
What are the key properties of N-methyl-N-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine?
N-methyl-N-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 63726928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).