3-(2-ethylphenyl)-3-(propylamino)propan-1-ol

C14H23NO — CID 65235088

IUPAC3-(2-ethylphenyl)-3-(propylamino)propan-1-ol
SMILESCCCNC(CCO)c1ccccc1CC
InChIInChI=1S/C14H23NO/c1-3-10-15-14(9-11-16)13-8-6-5-7-12(13)4-2/h5-8,14-16H,3-4,9-11H2,1-2H3
InChIKeyLIUYHXMUAFQCRR-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.67
Rot. Bonds7

About 3-(2-ethylphenyl)-3-(propylamino)propan-1-ol

3-(2-ethylphenyl)-3-(propylamino)propan-1-ol (PubChem CID 65235088) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-(2-ethylphenyl)-3-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2-ethylphenyl)-3-(propylamino)propan-1-ol
PubChem CID65235088
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-(2-ethylphenyl)-3-(propylamino)propan-1-ol
SMILESCCCNC(CCO)c1ccccc1CC
InChIInChI=1S/C14H23NO/c1-3-10-15-14(9-11-16)13-8-6-5-7-12(13)4-2/h5-8,14-16H,3-4,9-11H2,1-2H3
InChIKeyLIUYHXMUAFQCRR-UHFFFAOYSA-N
XLogP2.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylphenyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115820254
N-[1-(2-ethylphenyl)-2-propoxyethyl]propan-1-amine
CID 105008300
2-(2-ethylphenyl)-2-(methylamino)ethanol
CID 62415682
(2S)-2-(2-ethylphenyl)-2-(methylamino)ethanol
CID 55276460
3-amino-3-(2-ethylphenyl)propan-1-ol;hydrochloride
CID 170874839
2-(2-ethylphenyl)-2-(2-methylpropylamino)ethanol
CID 62415875
3-(furan-2-yl)-3-(propylamino)propan-1-ol
CID 64814709
3-naphthalen-2-yl-3-(propylamino)propan-1-ol
CID 64814482
N-[1-(2-ethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105019191
2-(2-methylphenyl)-2-(propylamino)ethanol
CID 61056185
3-[2-(2-ethylphenyl)ethylamino]-3-(4-fluorophenyl)propan-1-ol
CID 166233486
N-ethyl-1-(2-ethylphenyl)-5-methylhexan-1-amine
CID 105028868

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenyl)-3-(propylamino)propan-1-ol?
The IUPAC name of 3-(2-ethylphenyl)-3-(propylamino)propan-1-ol (CID 65235088) is 3-(2-ethylphenyl)-3-(propylamino)propan-1-ol.
What is the SMILES notation for 3-(2-ethylphenyl)-3-(propylamino)propan-1-ol?
The canonical SMILES for 3-(2-ethylphenyl)-3-(propylamino)propan-1-ol is CCCNC(CCO)c1ccccc1CC.
What is the InChIKey of 3-(2-ethylphenyl)-3-(propylamino)propan-1-ol?
The InChIKey is LIUYHXMUAFQCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-10-15-14(9-11-16)13-8-6-5-7-12(13)4-2/h5-8,14-16H,3-4,9-11H2,1-2H3.
What are the key properties of 3-(2-ethylphenyl)-3-(propylamino)propan-1-ol?
3-(2-ethylphenyl)-3-(propylamino)propan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenyl)-3-(propylamino)propan-1-ol is sourced from PubChem (CID 65235088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).