3-(ethylamino)-3-(4-methylphenyl)propan-1-ol

C12H19NO — CID 64813855

IUPAC3-(ethylamino)-3-(4-methylphenyl)propan-1-ol
SMILESCCNC(CCO)c1ccc(C)cc1
InChIInChI=1S/C12H19NO/c1-3-13-12(8-9-14)11-6-4-10(2)5-7-11/h4-7,12-14H,3,8-9H2,1-2H3
InChIKeyLFMRGQIOQSATMX-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.03
Rot. Bonds5

About 3-(ethylamino)-3-(4-methylphenyl)propan-1-ol

3-(ethylamino)-3-(4-methylphenyl)propan-1-ol (PubChem CID 64813855) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(ethylamino)-3-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(ethylamino)-3-(4-methylphenyl)propan-1-ol
PubChem CID64813855
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-(ethylamino)-3-(4-methylphenyl)propan-1-ol
SMILESCCNC(CCO)c1ccc(C)cc1
InChIInChI=1S/C12H19NO/c1-3-13-12(8-9-14)11-6-4-10(2)5-7-11/h4-7,12-14H,3,8-9H2,1-2H3
InChIKeyLFMRGQIOQSATMX-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(ethylamino)-3-(3-methylphenyl)propan-1-ol
CID 64812392
3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propan-1-ol
CID 65234936
N-ethyl-1-(4-methylphenyl)-3-propan-2-yloxypropan-1-amine
CID 115002189
3-[2-(ethylamino)-2-(4-methylphenyl)ethyl]sulfanylpropan-1-ol
CID 66127937
(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propan-1-ol
CID 97031545
2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol
CID 29083030
N-ethyl-3-(2-methylphenyl)-1-(4-methylphenyl)propan-1-amine
CID 105092556
N-ethyl-1-(4-methylphenyl)-4-phenylbutan-1-amine
CID 63411938
N,N'-diethyl-1-(4-methylphenyl)-N'-propylpropane-1,3-diamine
CID 62617865
2-[1-[3-(ethylamino)-3-(4-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 114800165
5-(ethylamino)-5-phenylpentan-1-ol
CID 134172288
(3S)-5-(ethylamino)-3-(4-methylphenyl)pentan-1-ol
CID 99992372

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-3-(4-methylphenyl)propan-1-ol?
The IUPAC name of 3-(ethylamino)-3-(4-methylphenyl)propan-1-ol (CID 64813855) is 3-(ethylamino)-3-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(ethylamino)-3-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(ethylamino)-3-(4-methylphenyl)propan-1-ol is CCNC(CCO)c1ccc(C)cc1.
What is the InChIKey of 3-(ethylamino)-3-(4-methylphenyl)propan-1-ol?
The InChIKey is LFMRGQIOQSATMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-13-12(8-9-14)11-6-4-10(2)5-7-11/h4-7,12-14H,3,8-9H2,1-2H3.
What are the key properties of 3-(ethylamino)-3-(4-methylphenyl)propan-1-ol?
3-(ethylamino)-3-(4-methylphenyl)propan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-3-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 64813855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).