2-[2-(diethylamino)ethylamino]-1-(4-methylphenyl)butan-1-ol

C17H30N2O — CID 82312387

IUPAC2-[2-(diethylamino)ethylamino]-1-(4-methylphenyl)butan-1-ol
SMILESCCC(NCCN(CC)CC)C(O)c1ccc(C)cc1
InChIInChI=1S/C17H30N2O/c1-5-16(18-12-13-19(6-2)7-3)17(20)15-10-8-14(4)9-11-15/h8-11,16-18,20H,5-7,12-13H2,1-4H3
InChIKeyKVRSKMJELUWHBI-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.74
Rot. Bonds9

About 2-[2-(diethylamino)ethylamino]-1-(4-methylphenyl)butan-1-ol

2-[2-(diethylamino)ethylamino]-1-(4-methylphenyl)butan-1-ol (PubChem CID 82312387) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-1-(4-methylphenyl)butan-1-ol.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-1-(4-methylphenyl)butan-1-ol
PubChem CID82312387
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-[2-(diethylamino)ethylamino]-1-(4-methylphenyl)butan-1-ol
SMILESCCC(NCCN(CC)CC)C(O)c1ccc(C)cc1
InChIInChI=1S/C17H30N2O/c1-5-16(18-12-13-19(6-2)7-3)17(20)15-10-8-14(4)9-11-15/h8-11,16-18,20H,5-7,12-13H2,1-4H3
InChIKeyKVRSKMJELUWHBI-UHFFFAOYSA-N
XLogP2.74
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

4-[[1-hydroxy-1-(4-methylphenyl)butan-2-yl]amino]butanoic acid
CID 82312389
2-[2-(diethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-ol
CID 82313119
1-(4-fluorophenyl)-2-(propylamino)butan-1-ol
CID 82313150
N',N'-diethyl-N-[1-(4-methylphenyl)-2-phenylethyl]ethane-1,2-diamine
CID 145453268
4-hydroxy-4-(4-methylphenyl)-3-(propylamino)butanoic acid
CID 82347436
1-(4-tert-butylphenyl)-2-(2-hydroxyethylamino)butan-1-ol
CID 82313635
2-(ethylamino)-1-(4-propan-2-ylphenyl)butan-1-ol
CID 82312822
1-(4-methylphenyl)-2-(propylamino)propan-1-ol
CID 82312296
N',N'-diethyl-N-[1-(4-fluorophenyl)propyl]ethane-1,2-diamine
CID 43194034
2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)ethanol
CID 61049233
3-(ethylamino)-4-hydroxy-4-(4-methylphenyl)butanoic acid
CID 82347443
N-[cyclopropyl-(4-methylphenyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 43763166

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-1-(4-methylphenyl)butan-1-ol?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-1-(4-methylphenyl)butan-1-ol (CID 82312387) is 2-[2-(diethylamino)ethylamino]-1-(4-methylphenyl)butan-1-ol.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-1-(4-methylphenyl)butan-1-ol?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-1-(4-methylphenyl)butan-1-ol is CCC(NCCN(CC)CC)C(O)c1ccc(C)cc1.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-1-(4-methylphenyl)butan-1-ol?
The InChIKey is KVRSKMJELUWHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-16(18-12-13-19(6-2)7-3)17(20)15-10-8-14(4)9-11-15/h8-11,16-18,20H,5-7,12-13H2,1-4H3.
What are the key properties of 2-[2-(diethylamino)ethylamino]-1-(4-methylphenyl)butan-1-ol?
2-[2-(diethylamino)ethylamino]-1-(4-methylphenyl)butan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-1-(4-methylphenyl)butan-1-ol is sourced from PubChem (CID 82312387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).