1-(4-methoxyphenyl)-2-N-(3-methoxypropyl)-1-N,2-N-dimethylpropane-1,2-diamine

C16H28N2O2 — CID 62985686

IUPAC1-(4-methoxyphenyl)-2-N-(3-methoxypropyl)-1-N,2-N-dimethylpropane-1,2-diamine
SMILESCNC(c1ccc(OC)cc1)C(C)N(C)CCCOC
InChIInChI=1S/C16H28N2O2/c1-13(18(3)11-6-12-19-4)16(17-2)14-7-9-15(20-5)10-8-14/h7-10,13,16-17H,6,11-12H2,1-5H3
InChIKeyJSGDFLWNVUNWKL-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.31
Rot. Bonds9

About 1-(4-methoxyphenyl)-2-N-(3-methoxypropyl)-1-N,2-N-dimethylpropane-1,2-diamine

1-(4-methoxyphenyl)-2-N-(3-methoxypropyl)-1-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 62985686) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-N-(3-methoxypropyl)-1-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-N-(3-methoxypropyl)-1-N,2-N-dimethylpropane-1,2-diamine
PubChem CID62985686
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(4-methoxyphenyl)-2-N-(3-methoxypropyl)-1-N,2-N-dimethylpropane-1,2-diamine
SMILESCNC(c1ccc(OC)cc1)C(C)N(C)CCCOC
InChIInChI=1S/C16H28N2O2/c1-13(18(3)11-6-12-19-4)16(17-2)14-7-9-15(20-5)10-8-14/h7-10,13,16-17H,6,11-12H2,1-5H3
InChIKeyJSGDFLWNVUNWKL-UHFFFAOYSA-N
XLogP2.31
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine
CID 64626669
2-N-(cyclopentylmethyl)-1-(4-methoxyphenyl)-1-N,2-N-dimethylpropane-1,2-diamine
CID 63631411
1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1-phenylpropane-1,2-diamine
CID 62984847
1-N,2-N-dimethyl-1-(4-methylphenyl)-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81056677
2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-(4-methylphenyl)propane-1,2-diamine
CID 81058933
1-(4-methoxyphenyl)-N-methyl-2-propan-2-ylsulfonylpropan-1-amine
CID 64674623
2-N-(cyclopropylmethyl)-2-N-ethyl-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 63955565
5-methoxy-2-[1-[3-methoxypropyl(methyl)amino]ethyl]phenol
CID 82980149
2,2-dimethoxy-1-(4-methoxyphenyl)-N-methylethanamine
CID 79492759
1-(4-methoxyphenyl)-N-methyl-2-propylpentan-1-amine
CID 82984124
1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylethanamine
CID 64626660
1-(4-methoxyphenyl)-2-N-methyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81055276

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-N-(3-methoxypropyl)-1-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-(4-methoxyphenyl)-2-N-(3-methoxypropyl)-1-N,2-N-dimethylpropane-1,2-diamine (CID 62985686) is 1-(4-methoxyphenyl)-2-N-(3-methoxypropyl)-1-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-N-(3-methoxypropyl)-1-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-N-(3-methoxypropyl)-1-N,2-N-dimethylpropane-1,2-diamine is CNC(c1ccc(OC)cc1)C(C)N(C)CCCOC.
What is the InChIKey of 1-(4-methoxyphenyl)-2-N-(3-methoxypropyl)-1-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is JSGDFLWNVUNWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-13(18(3)11-6-12-19-4)16(17-2)14-7-9-15(20-5)10-8-14/h7-10,13,16-17H,6,11-12H2,1-5H3.
What are the key properties of 1-(4-methoxyphenyl)-2-N-(3-methoxypropyl)-1-N,2-N-dimethylpropane-1,2-diamine?
1-(4-methoxyphenyl)-2-N-(3-methoxypropyl)-1-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 280.41 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-N-(3-methoxypropyl)-1-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 62985686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).