1-(diethylamino)-3-(4-ethylanilino)propan-2-ol

C15H26N2O — CID 60900874

IUPAC1-(diethylamino)-3-(4-ethylanilino)propan-2-ol
SMILESCCc1ccc(NCC(O)CN(CC)CC)cc1
InChIInChI=1S/C15H26N2O/c1-4-13-7-9-14(10-8-13)16-11-15(18)12-17(5-2)6-3/h7-10,15-16,18H,4-6,11-12H2,1-3H3
InChIKeyIDMXHOHACMJZAV-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.36
Rot. Bonds8

About 1-(diethylamino)-3-(4-ethylanilino)propan-2-ol

1-(diethylamino)-3-(4-ethylanilino)propan-2-ol (PubChem CID 60900874) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(diethylamino)-3-(4-ethylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-(4-ethylanilino)propan-2-ol
PubChem CID60900874
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(diethylamino)-3-(4-ethylanilino)propan-2-ol
SMILESCCc1ccc(NCC(O)CN(CC)CC)cc1
InChIInChI=1S/C15H26N2O/c1-4-13-7-9-14(10-8-13)16-11-15(18)12-17(5-2)6-3/h7-10,15-16,18H,4-6,11-12H2,1-3H3
InChIKeyIDMXHOHACMJZAV-UHFFFAOYSA-N
XLogP2.36
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromoanilino)-3-(diethylamino)propan-2-ol
CID 60897805
1-(diethylamino)-3-(3-fluoroanilino)propan-2-ol
CID 60897193
1-(4-bromo-3-methylanilino)-3-(diethylamino)propan-2-ol
CID 60897509
1-(3-chloro-4-fluoroanilino)-3-(diethylamino)propan-2-ol
CID 83108692
1-(diethylamino)-3-(2,3-dihydro-1H-inden-5-ylamino)propan-2-ol
CID 60898879
1-(diethylamino)-3-(3,4,5-trifluoroanilino)propan-2-ol
CID 62810463
1-(3-bromoanilino)-3-(diethylamino)propan-2-ol
CID 60898520
1-(4-ethylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 60900494
1-(dimethylamino)-3-(3-ethylanilino)propan-2-ol
CID 60902054
1-N-(4-ethylphenyl)butane-1,2-diamine
CID 83961853
1-(diethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 63248314
1-(2,3-dichloroanilino)-3-(diethylamino)propan-2-ol
CID 60899997

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-(4-ethylanilino)propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-(4-ethylanilino)propan-2-ol (CID 60900874) is 1-(diethylamino)-3-(4-ethylanilino)propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-(4-ethylanilino)propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-(4-ethylanilino)propan-2-ol is CCc1ccc(NCC(O)CN(CC)CC)cc1.
What is the InChIKey of 1-(diethylamino)-3-(4-ethylanilino)propan-2-ol?
The InChIKey is IDMXHOHACMJZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-13-7-9-14(10-8-13)16-11-15(18)12-17(5-2)6-3/h7-10,15-16,18H,4-6,11-12H2,1-3H3.
What are the key properties of 1-(diethylamino)-3-(4-ethylanilino)propan-2-ol?
1-(diethylamino)-3-(4-ethylanilino)propan-2-ol has a molecular weight of 250.39 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-(4-ethylanilino)propan-2-ol is sourced from PubChem (CID 60900874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).