1-(4-methylphenoxy)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol

C17H30N2O2 — CID 106045815

IUPAC1-(4-methylphenoxy)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
SMILESCc1ccc(OCC(O)CNCCCN(C)C(C)C)cc1
InChIInChI=1S/C17H30N2O2/c1-14(2)19(4)11-5-10-18-12-16(20)13-21-17-8-6-15(3)7-9-17/h6-9,14,16,18,20H,5,10-13H2,1-4H3
InChIKeyQLKOHQSYOMBDFS-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.05
Rot. Bonds10

About 1-(4-methylphenoxy)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol

1-(4-methylphenoxy)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol (PubChem CID 106045815) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(4-methylphenoxy)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol.

Molecular Properties

Compound Name1-(4-methylphenoxy)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
PubChem CID106045815
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-(4-methylphenoxy)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
SMILESCc1ccc(OCC(O)CNCCCN(C)C(C)C)cc1
InChIInChI=1S/C17H30N2O2/c1-14(2)19(4)11-5-10-18-12-16(20)13-21-17-8-6-15(3)7-9-17/h6-9,14,16,18,20H,5,10-13H2,1-4H3
InChIKeyQLKOHQSYOMBDFS-UHFFFAOYSA-N
XLogP2.05
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.05
H-Bond Donors ≤ 52
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-ethylphenoxy)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62640128
1-[3-(dimethylamino)propylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 60635246
1-(4-chloro-3-methylphenoxy)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62639947
1-(4-methylphenoxy)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 60669530
3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]propanamide
CID 54938576
1-[4-[2-hydroxy-3-[(4-methylphenyl)methylamino]propoxy]phenoxy]-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 19133404
1-(2-bromo-4-methylphenoxy)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62640849
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 16812220
1-[4-[(2R)-3-[3-(diethylamino)propylamino]-2-hydroxypropoxy]phenyl]ethanone
CID 31263188
4-[(2S)-3-[2-(dimethylamino)ethylamino]-2-hydroxypropoxy]benzonitrile
CID 93381176
1-(4-ethylphenoxy)-3-(4-methylpentylamino)propan-2-ol
CID 60745292
5-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]pentan-2-ol
CID 106131486

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenoxy)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol?
The IUPAC name of 1-(4-methylphenoxy)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol (CID 106045815) is 1-(4-methylphenoxy)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol.
What is the SMILES notation for 1-(4-methylphenoxy)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol?
The canonical SMILES for 1-(4-methylphenoxy)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol is Cc1ccc(OCC(O)CNCCCN(C)C(C)C)cc1.
What is the InChIKey of 1-(4-methylphenoxy)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol?
The InChIKey is QLKOHQSYOMBDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-14(2)19(4)11-5-10-18-12-16(20)13-21-17-8-6-15(3)7-9-17/h6-9,14,16,18,20H,5,10-13H2,1-4H3.
What are the key properties of 1-(4-methylphenoxy)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol?
1-(4-methylphenoxy)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol has a molecular weight of 294.44 g/mol, XLogP of 2.05, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenoxy)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol is sourced from PubChem (CID 106045815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).