2-[3-(dimethylamino)propyl-methylamino]-1-(4-propan-2-yloxyphenyl)ethanol

C17H30N2O2 — CID 63699784

IUPAC2-[3-(dimethylamino)propyl-methylamino]-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1ccc(C(O)CN(C)CCCN(C)C)cc1
InChIInChI=1S/C17H30N2O2/c1-14(2)21-16-9-7-15(8-10-16)17(20)13-19(5)12-6-11-18(3)4/h7-10,14,17,20H,6,11-13H2,1-5H3
InChIKeyMMZSYETVSQGMLX-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.39
Rot. Bonds9

About 2-[3-(dimethylamino)propyl-methylamino]-1-(4-propan-2-yloxyphenyl)ethanol

2-[3-(dimethylamino)propyl-methylamino]-1-(4-propan-2-yloxyphenyl)ethanol (PubChem CID 63699784) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl-methylamino]-1-(4-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl-methylamino]-1-(4-propan-2-yloxyphenyl)ethanol
PubChem CID63699784
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-[3-(dimethylamino)propyl-methylamino]-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1ccc(C(O)CN(C)CCCN(C)C)cc1
InChIInChI=1S/C17H30N2O2/c1-14(2)21-16-9-7-15(8-10-16)17(20)13-19(5)12-6-11-18(3)4/h7-10,14,17,20H,6,11-13H2,1-5H3
InChIKeyMMZSYETVSQGMLX-UHFFFAOYSA-N
XLogP2.39
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(dimethylamino)propyl-methylamino]-1-(4-propan-2-yloxyphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(dimethylamino)propyl-methylamino]-1-(4-methoxyphenyl)ethanol
CID 63698745
2-[butyl(methyl)amino]-1-(4-methoxyphenyl)ethanol
CID 54944684
N'-[2-amino-1-(4-propan-2-yloxyphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695333
2-[2-(dimethylamino)ethyl-methylamino]-1-(4-methylphenyl)ethanol
CID 63701341
2-[2-ethoxyethyl(ethyl)amino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 63692094
N',N'-dimethyl-N-[(1R)-2-methyl-1-(4-propan-2-yloxyphenyl)propyl]propane-1,3-diamine
CID 42570976
1-(4-propan-2-yloxyphenyl)butan-1-ol
CID 22486858
(5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid
CID 28945621
1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]ethanol
CID 63699776
1-(4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol
CID 110908142
3-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol
CID 110830648
2-[ethyl(methyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60972520

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl-methylamino]-1-(4-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 2-[3-(dimethylamino)propyl-methylamino]-1-(4-propan-2-yloxyphenyl)ethanol (CID 63699784) is 2-[3-(dimethylamino)propyl-methylamino]-1-(4-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 2-[3-(dimethylamino)propyl-methylamino]-1-(4-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 2-[3-(dimethylamino)propyl-methylamino]-1-(4-propan-2-yloxyphenyl)ethanol is CC(C)Oc1ccc(C(O)CN(C)CCCN(C)C)cc1.
What is the InChIKey of 2-[3-(dimethylamino)propyl-methylamino]-1-(4-propan-2-yloxyphenyl)ethanol?
The InChIKey is MMZSYETVSQGMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-14(2)21-16-9-7-15(8-10-16)17(20)13-19(5)12-6-11-18(3)4/h7-10,14,17,20H,6,11-13H2,1-5H3.
What are the key properties of 2-[3-(dimethylamino)propyl-methylamino]-1-(4-propan-2-yloxyphenyl)ethanol?
2-[3-(dimethylamino)propyl-methylamino]-1-(4-propan-2-yloxyphenyl)ethanol has a molecular weight of 294.44 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl-methylamino]-1-(4-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 63699784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).