2-[ethyl-[3-(4-methylphenyl)-3-(propylamino)propyl]amino]ethanol

C17H30N2O — CID 62617730

IUPAC2-[ethyl-[3-(4-methylphenyl)-3-(propylamino)propyl]amino]ethanol
SMILESCCCNC(CCN(CC)CCO)c1ccc(C)cc1
InChIInChI=1S/C17H30N2O/c1-4-11-18-17(10-12-19(5-2)13-14-20)16-8-6-15(3)7-9-16/h6-9,17-18,20H,4-5,10-14H2,1-3H3
InChIKeyUPRVFOKEOBQPJQ-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.74
Rot. Bonds10

About 2-[ethyl-[3-(4-methylphenyl)-3-(propylamino)propyl]amino]ethanol

2-[ethyl-[3-(4-methylphenyl)-3-(propylamino)propyl]amino]ethanol (PubChem CID 62617730) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[ethyl-[3-(4-methylphenyl)-3-(propylamino)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[3-(4-methylphenyl)-3-(propylamino)propyl]amino]ethanol
PubChem CID62617730
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-[ethyl-[3-(4-methylphenyl)-3-(propylamino)propyl]amino]ethanol
SMILESCCCNC(CCN(CC)CCO)c1ccc(C)cc1
InChIInChI=1S/C17H30N2O/c1-4-11-18-17(10-12-19(5-2)13-14-20)16-8-6-15(3)7-9-16/h6-9,17-18,20H,4-5,10-14H2,1-3H3
InChIKeyUPRVFOKEOBQPJQ-UHFFFAOYSA-N
XLogP2.74
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(4-bromophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62618754
N,N'-diethyl-1-(4-methylphenyl)-N'-propylpropane-1,3-diamine
CID 62617865
N',N'-dimethyl-1-(4-methylphenyl)-N-propylpropane-1,3-diamine
CID 62618545
2-[2-hydroxyethyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol
CID 55099134
1-(3,5-dimethylphenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 79092551
N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 63692117
2-[[3-(3-fluorophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643290
N'-cyclopropyl-1-(4-methylphenyl)-N,N'-dipropylpropane-1,3-diamine
CID 63484007
1-(3,4-difluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 79093220
4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 64565776
2-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643636
2-[[3-(4-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol
CID 62645398

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-(4-methylphenyl)-3-(propylamino)propyl]amino]ethanol?
The IUPAC name of 2-[ethyl-[3-(4-methylphenyl)-3-(propylamino)propyl]amino]ethanol (CID 62617730) is 2-[ethyl-[3-(4-methylphenyl)-3-(propylamino)propyl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[3-(4-methylphenyl)-3-(propylamino)propyl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[3-(4-methylphenyl)-3-(propylamino)propyl]amino]ethanol is CCCNC(CCN(CC)CCO)c1ccc(C)cc1.
What is the InChIKey of 2-[ethyl-[3-(4-methylphenyl)-3-(propylamino)propyl]amino]ethanol?
The InChIKey is UPRVFOKEOBQPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-11-18-17(10-12-19(5-2)13-14-20)16-8-6-15(3)7-9-16/h6-9,17-18,20H,4-5,10-14H2,1-3H3.
What are the key properties of 2-[ethyl-[3-(4-methylphenyl)-3-(propylamino)propyl]amino]ethanol?
2-[ethyl-[3-(4-methylphenyl)-3-(propylamino)propyl]amino]ethanol has a molecular weight of 278.44 g/mol, XLogP of 2.74, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-(4-methylphenyl)-3-(propylamino)propyl]amino]ethanol is sourced from PubChem (CID 62617730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).