2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)-1-phenylbutane-1,2-diamine

C17H28N2O — CID 61431053

IUPAC2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)-1-phenylbutane-1,2-diamine
SMILESCC(C)C(C(N)c1ccccc1)N(C)CC1CCCO1
InChIInChI=1S/C17H28N2O/c1-13(2)17(16(18)14-8-5-4-6-9-14)19(3)12-15-10-7-11-20-15/h4-6,8-9,13,15-17H,7,10-12,18H2,1-3H3
InChIKeyNAFNHEBGOOWBGZ-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.82
Rot. Bonds6

About 2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)-1-phenylbutane-1,2-diamine

2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)-1-phenylbutane-1,2-diamine (PubChem CID 61431053) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)-1-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)-1-phenylbutane-1,2-diamine
PubChem CID61431053
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)-1-phenylbutane-1,2-diamine
SMILESCC(C)C(C(N)c1ccccc1)N(C)CC1CCCO1
InChIInChI=1S/C17H28N2O/c1-13(2)17(16(18)14-8-5-4-6-9-14)19(3)12-15-10-7-11-20-15/h4-6,8-9,13,15-17H,7,10-12,18H2,1-3H3
InChIKeyNAFNHEBGOOWBGZ-UHFFFAOYSA-N
XLogP2.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-2-N-methyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 61431442
3-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119750532
3-[methyl(oxolan-2-ylmethyl)amino]-3-phenylpropanoic acid
CID 63073130
2-amino-N-methyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 61436409
3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine
CID 61431543
N'-ethyl-N'-(oxolan-2-ylmethyl)-2-phenylpropane-1,3-diamine
CID 61433987
2-N-methyl-2-N-(oxan-2-ylmethyl)-4-phenylbutane-1,2-diamine
CID 62881613
[2-(1-phenylethyl)oxan-3-yl]methanamine
CID 79368315
N'-methyl-1-(4-methylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431491
1-(oxolan-2-ylmethoxy)-1-phenylpropan-2-amine
CID 55017321
3-amino-N-methyl-N-(oxan-2-ylmethyl)-2-phenylpropanamide
CID 62876627
3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119670098

Frequently Asked Questions

What is the IUPAC name of 2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)-1-phenylbutane-1,2-diamine?
The IUPAC name of 2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)-1-phenylbutane-1,2-diamine (CID 61431053) is 2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)-1-phenylbutane-1,2-diamine.
What is the SMILES notation for 2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)-1-phenylbutane-1,2-diamine?
The canonical SMILES for 2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)-1-phenylbutane-1,2-diamine is CC(C)C(C(N)c1ccccc1)N(C)CC1CCCO1.
What is the InChIKey of 2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)-1-phenylbutane-1,2-diamine?
The InChIKey is NAFNHEBGOOWBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)17(16(18)14-8-5-4-6-9-14)19(3)12-15-10-7-11-20-15/h4-6,8-9,13,15-17H,7,10-12,18H2,1-3H3.
What are the key properties of 2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)-1-phenylbutane-1,2-diamine?
2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)-1-phenylbutane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)-1-phenylbutane-1,2-diamine is sourced from PubChem (CID 61431053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).