1-N,2-N-dimethyl-1-(4-methylphenyl)-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine

C17H30N2O — CID 81056677

IUPAC1-N,2-N-dimethyl-1-(4-methylphenyl)-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
SMILESCNC(c1ccc(C)cc1)C(C)N(C)CCOC(C)C
InChIInChI=1S/C17H30N2O/c1-13(2)20-12-11-19(6)15(4)17(18-5)16-9-7-14(3)8-10-16/h7-10,13,15,17-18H,11-12H2,1-6H3
InChIKeyCYPMAVJETPPBTG-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.00
Rot. Bonds8

About 1-N,2-N-dimethyl-1-(4-methylphenyl)-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine

1-N,2-N-dimethyl-1-(4-methylphenyl)-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine (PubChem CID 81056677) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-N,2-N-dimethyl-1-(4-methylphenyl)-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dimethyl-1-(4-methylphenyl)-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
PubChem CID81056677
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-N,2-N-dimethyl-1-(4-methylphenyl)-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
SMILESCNC(c1ccc(C)cc1)C(C)N(C)CCOC(C)C
InChIInChI=1S/C17H30N2O/c1-13(2)20-12-11-19(6)15(4)17(18-5)16-9-7-14(3)8-10-16/h7-10,13,15,17-18H,11-12H2,1-6H3
InChIKeyCYPMAVJETPPBTG-UHFFFAOYSA-N
XLogP3.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-(4-methylphenyl)propane-1,2-diamine
CID 81058933
1-(4-methoxyphenyl)-2-N-(3-methoxypropyl)-1-N,2-N-dimethylpropane-1,2-diamine
CID 62985686
N-methyl-1-(4-methylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-amine
CID 82956623
2-N-(2-methoxyethyl)-2-N-methyl-1-(4-methylphenyl)propane-1,2-diamine
CID 61426974
2-N-methyl-1-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81055828
1-(4-methoxyphenyl)-2-N-methyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81055276
1-(4-ethylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol
CID 81062270
N'-methyl-1-(4-methylphenyl)-N'-(2-propan-2-yloxyethyl)-N-propylethane-1,2-diamine
CID 81035781
4-methyl-2-[1-[methyl(2-propan-2-yloxyethyl)amino]ethyl]phenol
CID 82983452
1-(methylamino)-1-(4-methylphenyl)propan-2-ol
CID 116859377
1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]-1-(2-propan-2-yloxyethyl)urea
CID 81043795
N'-(1-methoxypropan-2-yl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 55099227

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dimethyl-1-(4-methylphenyl)-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine?
The IUPAC name of 1-N,2-N-dimethyl-1-(4-methylphenyl)-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine (CID 81056677) is 1-N,2-N-dimethyl-1-(4-methylphenyl)-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dimethyl-1-(4-methylphenyl)-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine?
The canonical SMILES for 1-N,2-N-dimethyl-1-(4-methylphenyl)-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine is CNC(c1ccc(C)cc1)C(C)N(C)CCOC(C)C.
What is the InChIKey of 1-N,2-N-dimethyl-1-(4-methylphenyl)-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine?
The InChIKey is CYPMAVJETPPBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-13(2)20-12-11-19(6)15(4)17(18-5)16-9-7-14(3)8-10-16/h7-10,13,15,17-18H,11-12H2,1-6H3.
What are the key properties of 1-N,2-N-dimethyl-1-(4-methylphenyl)-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine?
1-N,2-N-dimethyl-1-(4-methylphenyl)-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dimethyl-1-(4-methylphenyl)-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine is sourced from PubChem (CID 81056677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).