3-[ethyl(propyl)amino]-1-(4-fluorophenyl)propan-1-ol

C14H22FNO — CID 55099258

IUPAC3-[ethyl(propyl)amino]-1-(4-fluorophenyl)propan-1-ol
SMILESCCCN(CC)CCC(O)c1ccc(F)cc1
InChIInChI=1S/C14H22FNO/c1-3-10-16(4-2)11-9-14(17)12-5-7-13(15)8-6-12/h5-8,14,17H,3-4,9-11H2,1-2H3
InChIKeyHZDZPOJJFJYLCS-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.98
Rot. Bonds7

About 3-[ethyl(propyl)amino]-1-(4-fluorophenyl)propan-1-ol

3-[ethyl(propyl)amino]-1-(4-fluorophenyl)propan-1-ol (PubChem CID 55099258) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 3-[ethyl(propyl)amino]-1-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-[ethyl(propyl)amino]-1-(4-fluorophenyl)propan-1-ol
PubChem CID55099258
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name3-[ethyl(propyl)amino]-1-(4-fluorophenyl)propan-1-ol
SMILESCCCN(CC)CCC(O)c1ccc(F)cc1
InChIInChI=1S/C14H22FNO/c1-3-10-16(4-2)11-9-14(17)12-5-7-13(15)8-6-12/h5-8,14,17H,3-4,9-11H2,1-2H3
InChIKeyHZDZPOJJFJYLCS-UHFFFAOYSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-[ethyl(propyl)amino]propan-1-ol
CID 55099257
N'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 62645499
2-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol
CID 82215871
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
1-(4-methylphenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62618647
2-[ethyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]acetonitrile
CID 110912728
1-(4-chlorophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62628604
2-[cyclopropylmethyl(propyl)amino]-1-(4-fluorophenyl)ethanol
CID 110883262
3-[3-(dimethylamino)propyl-ethylamino]-1-(3-fluorophenyl)propan-1-ol
CID 102997262
3-(diethylamino)-1-(4-hexoxyphenyl)propan-1-ol
CID 82073822
3-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(3-methylbutyl)amino]propanenitrile
CID 111496675
3-(diethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79086972

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(propyl)amino]-1-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 3-[ethyl(propyl)amino]-1-(4-fluorophenyl)propan-1-ol (CID 55099258) is 3-[ethyl(propyl)amino]-1-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-[ethyl(propyl)amino]-1-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-[ethyl(propyl)amino]-1-(4-fluorophenyl)propan-1-ol is CCCN(CC)CCC(O)c1ccc(F)cc1.
What is the InChIKey of 3-[ethyl(propyl)amino]-1-(4-fluorophenyl)propan-1-ol?
The InChIKey is HZDZPOJJFJYLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-3-10-16(4-2)11-9-14(17)12-5-7-13(15)8-6-12/h5-8,14,17H,3-4,9-11H2,1-2H3.
What are the key properties of 3-[ethyl(propyl)amino]-1-(4-fluorophenyl)propan-1-ol?
3-[ethyl(propyl)amino]-1-(4-fluorophenyl)propan-1-ol has a molecular weight of 239.33 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(propyl)amino]-1-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 55099258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).