2-[3-(dimethylamino)propylamino]-1-(3,4-dimethylphenyl)propan-1-ol

C16H28N2O — CID 82312515

IUPAC2-[3-(dimethylamino)propylamino]-1-(3,4-dimethylphenyl)propan-1-ol
SMILESCc1ccc(C(O)C(C)NCCCN(C)C)cc1C
InChIInChI=1S/C16H28N2O/c1-12-7-8-15(11-13(12)2)16(19)14(3)17-9-6-10-18(4)5/h7-8,11,14,16-17,19H,6,9-10H2,1-5H3
InChIKeyRZWWEXQNLCUGDJ-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.27
Rot. Bonds7

About 2-[3-(dimethylamino)propylamino]-1-(3,4-dimethylphenyl)propan-1-ol

2-[3-(dimethylamino)propylamino]-1-(3,4-dimethylphenyl)propan-1-ol (PubChem CID 82312515) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propylamino]-1-(3,4-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-[3-(dimethylamino)propylamino]-1-(3,4-dimethylphenyl)propan-1-ol
PubChem CID82312515
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-[3-(dimethylamino)propylamino]-1-(3,4-dimethylphenyl)propan-1-ol
SMILESCc1ccc(C(O)C(C)NCCCN(C)C)cc1C
InChIInChI=1S/C16H28N2O/c1-12-7-8-15(11-13(12)2)16(19)14(3)17-9-6-10-18(4)5/h7-8,11,14,16-17,19H,6,9-10H2,1-5H3
InChIKeyRZWWEXQNLCUGDJ-UHFFFAOYSA-N
XLogP2.27
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-hydroxy-2-(3-hydroxypropylamino)propyl]-2-methylphenol
CID 110183946
2-[3-(dimethylamino)propylamino]-1-(2-methoxy-5-methylphenyl)propan-1-ol
CID 82313691
2-(3-ethoxypropylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol
CID 82313794
2-(butan-2-ylamino)-1-(3,4-dimethylphenyl)propan-1-ol
CID 82312487
1-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol
CID 82312509
1-(4-methoxy-3-methylphenyl)-2-(3-methylbutylamino)propan-1-ol
CID 82313799
1-(4-fluoro-3-methylphenyl)-2-(hexylamino)propan-1-ol
CID 82315039
2-[2-(dimethylamino)ethylamino]-1-(2,4-dimethylphenyl)propan-1-ol
CID 82313474
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-hydroxypropylamino)propan-1-ol
CID 82313558
2-[3-(diethylamino)propylamino]-1-phenylpropan-1-ol
CID 82312095
1-(4-bromophenyl)-2-(3-hydroxypropylamino)propan-1-ol
CID 82312926
4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxypropyl]-2-methylphenol
CID 110184275

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propylamino]-1-(3,4-dimethylphenyl)propan-1-ol?
The IUPAC name of 2-[3-(dimethylamino)propylamino]-1-(3,4-dimethylphenyl)propan-1-ol (CID 82312515) is 2-[3-(dimethylamino)propylamino]-1-(3,4-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 2-[3-(dimethylamino)propylamino]-1-(3,4-dimethylphenyl)propan-1-ol?
The canonical SMILES for 2-[3-(dimethylamino)propylamino]-1-(3,4-dimethylphenyl)propan-1-ol is Cc1ccc(C(O)C(C)NCCCN(C)C)cc1C.
What is the InChIKey of 2-[3-(dimethylamino)propylamino]-1-(3,4-dimethylphenyl)propan-1-ol?
The InChIKey is RZWWEXQNLCUGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12-7-8-15(11-13(12)2)16(19)14(3)17-9-6-10-18(4)5/h7-8,11,14,16-17,19H,6,9-10H2,1-5H3.
What are the key properties of 2-[3-(dimethylamino)propylamino]-1-(3,4-dimethylphenyl)propan-1-ol?
2-[3-(dimethylamino)propylamino]-1-(3,4-dimethylphenyl)propan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propylamino]-1-(3,4-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 82312515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).