N'-(1-methoxypropan-2-yl)-N',2,2-trimethyl-1-phenylpropane-1,3-diamine

C16H28N2O — CID 55163332

IUPACN'-(1-methoxypropan-2-yl)-N',2,2-trimethyl-1-phenylpropane-1,3-diamine
SMILESCOCC(C)N(C)CC(C)(C)C(N)c1ccccc1
InChIInChI=1S/C16H28N2O/c1-13(11-19-5)18(4)12-16(2,3)15(17)14-9-7-6-8-10-14/h6-10,13,15H,11-12,17H2,1-5H3
InChIKeySMLROWCTZKZULO-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.68
Rot. Bonds7

About N'-(1-methoxypropan-2-yl)-N',2,2-trimethyl-1-phenylpropane-1,3-diamine

N'-(1-methoxypropan-2-yl)-N',2,2-trimethyl-1-phenylpropane-1,3-diamine (PubChem CID 55163332) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N'-(1-methoxypropan-2-yl)-N',2,2-trimethyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1-methoxypropan-2-yl)-N',2,2-trimethyl-1-phenylpropane-1,3-diamine
PubChem CID55163332
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN'-(1-methoxypropan-2-yl)-N',2,2-trimethyl-1-phenylpropane-1,3-diamine
SMILESCOCC(C)N(C)CC(C)(C)C(N)c1ccccc1
InChIInChI=1S/C16H28N2O/c1-13(11-19-5)18(4)12-16(2,3)15(17)14-9-7-6-8-10-14/h6-10,13,15H,11-12,17H2,1-5H3
InChIKeySMLROWCTZKZULO-UHFFFAOYSA-N
XLogP2.68
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2,2-dimethyl-1-phenylpropan-1-amine
CID 121314723
2,2-dimethyl-N',N'-bis(2-methylpropyl)-1-phenylpropane-1,3-diamine
CID 63493468
3-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropan-1-amine
CID 65015149
N-[[2-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62429121
2-methoxy-2-methyl-1-phenylpropan-1-amine
CID 76606196
2,2-dimethyl-1-phenyl-N'-[(1R)-1-phenylethyl]propane-1,3-diamine
CID 59975349
3-[1-methoxypropan-2-yl(methyl)amino]-2-(methylamino)-2-phenylpropan-1-ol
CID 64826513
(1R)-2-methoxy-1-phenylethanamine
CID 11019045
1-(2-ethoxyphenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 61451424
2,2-dimethyl-1-phenylbutane-1,4-diamine
CID 116934434
1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66454325
3-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpropanoic acid
CID 62271402

Frequently Asked Questions

What is the IUPAC name of N'-(1-methoxypropan-2-yl)-N',2,2-trimethyl-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-(1-methoxypropan-2-yl)-N',2,2-trimethyl-1-phenylpropane-1,3-diamine (CID 55163332) is N'-(1-methoxypropan-2-yl)-N',2,2-trimethyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-(1-methoxypropan-2-yl)-N',2,2-trimethyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-(1-methoxypropan-2-yl)-N',2,2-trimethyl-1-phenylpropane-1,3-diamine is COCC(C)N(C)CC(C)(C)C(N)c1ccccc1.
What is the InChIKey of N'-(1-methoxypropan-2-yl)-N',2,2-trimethyl-1-phenylpropane-1,3-diamine?
The InChIKey is SMLROWCTZKZULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13(11-19-5)18(4)12-16(2,3)15(17)14-9-7-6-8-10-14/h6-10,13,15H,11-12,17H2,1-5H3.
What are the key properties of N'-(1-methoxypropan-2-yl)-N',2,2-trimethyl-1-phenylpropane-1,3-diamine?
N'-(1-methoxypropan-2-yl)-N',2,2-trimethyl-1-phenylpropane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methoxypropan-2-yl)-N',2,2-trimethyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 55163332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).