3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylpropyl)propane-1,2-diamine

C16H28N2O — CID 55169280

IUPAC3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylpropyl)propane-1,2-diamine
SMILESCOc1ccc(CC(C)(CN)N(C)CC(C)C)cc1
InChIInChI=1S/C16H28N2O/c1-13(2)11-18(4)16(3,12-17)10-14-6-8-15(19-5)9-7-14/h6-9,13H,10-12,17H2,1-5H3
InChIKeyQLAMQZLDEWHOLZ-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.54
Rot. Bonds7

About 3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylpropyl)propane-1,2-diamine

3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylpropyl)propane-1,2-diamine (PubChem CID 55169280) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylpropyl)propane-1,2-diamine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylpropyl)propane-1,2-diamine
PubChem CID55169280
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylpropyl)propane-1,2-diamine
SMILESCOc1ccc(CC(C)(CN)N(C)CC(C)C)cc1
InChIInChI=1S/C16H28N2O/c1-13(2)11-18(4)16(3,12-17)10-14-6-8-15(19-5)9-7-14/h6-9,13H,10-12,17H2,1-5H3
InChIKeyQLAMQZLDEWHOLZ-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
CID 112658105
3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-phenylpropane-1,2-diamine
CID 60709902
2-N-cyclopentyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 63272919
2-N-cyclohexyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 60709719
2-N-ethyl-4-(4-methoxyphenyl)-2-N,2-dimethylbutane-1,2-diamine
CID 54878009
1-(4-methoxyphenyl)-2-N',2-N'-dimethylpropane-2,2-diamine
CID 84748167
4-(4-methoxyphenyl)-2-N-(1-methoxypropan-2-yl)-2-N,2-dimethylbutane-1,2-diamine
CID 61453212
1-(4-methoxyphenyl)-2,5-dimethylhexan-2-ol
CID 65145568
2-N-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115596113
2-N-[2-(dimethylamino)ethyl]-3-(4-methoxyphenyl)-2-methylpropane-1,2-diamine
CID 65385865
3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine
CID 102697111
2-N-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine
CID 55139466

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylpropyl)propane-1,2-diamine?
The IUPAC name of 3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylpropyl)propane-1,2-diamine (CID 55169280) is 3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylpropyl)propane-1,2-diamine.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylpropyl)propane-1,2-diamine?
The canonical SMILES for 3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylpropyl)propane-1,2-diamine is COc1ccc(CC(C)(CN)N(C)CC(C)C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylpropyl)propane-1,2-diamine?
The InChIKey is QLAMQZLDEWHOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13(2)11-18(4)16(3,12-17)10-14-6-8-15(19-5)9-7-14/h6-9,13H,10-12,17H2,1-5H3.
What are the key properties of 3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylpropyl)propane-1,2-diamine?
3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylpropyl)propane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylpropyl)propane-1,2-diamine is sourced from PubChem (CID 55169280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).