2-N-methyl-1-N-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine

C15H26N2O — CID 81068114

IUPAC2-N-methyl-1-N-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
SMILESCC(C)OCCN(C)C(C)CNc1ccccc1
InChIInChI=1S/C15H26N2O/c1-13(2)18-11-10-17(4)14(3)12-16-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3
InChIKeyJYUSZYWGDUJCCI-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.84
Rot. Bonds8

About 2-N-methyl-1-N-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine

2-N-methyl-1-N-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine (PubChem CID 81068114) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-N-methyl-1-N-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-1-N-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
PubChem CID81068114
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-N-methyl-1-N-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
SMILESCC(C)OCCN(C)C(C)CNc1ccccc1
InChIInChI=1S/C15H26N2O/c1-13(2)18-11-10-17(4)14(3)12-16-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3
InChIKeyJYUSZYWGDUJCCI-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2-ethoxyethyl)-2-N-methyl-1-N-phenylpropane-1,2-diamine
CID 81068786
N'-methyl-N-phenyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81055583
2-N-methyl-1-N-pentan-3-yl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81067526
2-N-methyl-2-N-(2-propan-2-yloxyethyl)-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 81068790
N-(2-propoxypropyl)aniline
CID 62585259
N'-(1-methoxypropan-2-yl)-N'-methyl-N-phenylpropane-1,3-diamine
CID 62568765
1-anilino-3-propan-2-yloxypropan-2-ol
CID 2880916
2-N-methyl-1-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81055828
2-N-[2-(dimethylamino)ethyl]-1-N-phenyl-2-N-propylpropane-1,2-diamine
CID 62568173
2-[1-[methyl(2-propan-2-yloxyethyl)amino]propyl]phenol
CID 82982904
2-[methyl(2-propan-2-yloxyethyl)amino]-2-phenylacetohydrazide
CID 81068829
2-N-butan-2-yl-2-N-ethyl-1-N-phenylpropane-1,2-diamine
CID 62569514

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-N-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine?
The IUPAC name of 2-N-methyl-1-N-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine (CID 81068114) is 2-N-methyl-1-N-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-1-N-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-1-N-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine is CC(C)OCCN(C)C(C)CNc1ccccc1.
What is the InChIKey of 2-N-methyl-1-N-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine?
The InChIKey is JYUSZYWGDUJCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-13(2)18-11-10-17(4)14(3)12-16-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3.
What are the key properties of 2-N-methyl-1-N-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine?
2-N-methyl-1-N-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-N-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine is sourced from PubChem (CID 81068114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).