3-[2-(2-ethylphenyl)ethylamino]-3-(4-fluorophenyl)propan-1-ol

C19H24FNO — CID 166233486

IUPAC3-[2-(2-ethylphenyl)ethylamino]-3-(4-fluorophenyl)propan-1-ol
SMILESCCc1ccccc1CCNC(CCO)c1ccc(F)cc1
InChIInChI=1S/C19H24FNO/c1-2-15-5-3-4-6-16(15)11-13-21-19(12-14-22)17-7-9-18(20)10-8-17/h3-10,19,21-22H,2,11-14H2,1H3
InChIKeyKCNMJQIKNOJBQS-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.64
Rot. Bonds8

About 3-[2-(2-ethylphenyl)ethylamino]-3-(4-fluorophenyl)propan-1-ol

3-[2-(2-ethylphenyl)ethylamino]-3-(4-fluorophenyl)propan-1-ol (PubChem CID 166233486) has the molecular formula C19H24FNO and a molecular weight of 301.41 g/mol. Its IUPAC name is 3-[2-(2-ethylphenyl)ethylamino]-3-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-[2-(2-ethylphenyl)ethylamino]-3-(4-fluorophenyl)propan-1-ol
PubChem CID166233486
Molecular FormulaC19H24FNO
Molecular Weight301.41 g/mol
Exact Mass301.18
IUPAC Name3-[2-(2-ethylphenyl)ethylamino]-3-(4-fluorophenyl)propan-1-ol
SMILESCCc1ccccc1CCNC(CCO)c1ccc(F)cc1
InChIInChI=1S/C19H24FNO/c1-2-15-5-3-4-6-16(15)11-13-21-19(12-14-22)17-7-9-18(20)10-8-17/h3-10,19,21-22H,2,11-14H2,1H3
InChIKeyKCNMJQIKNOJBQS-UHFFFAOYSA-N
XLogP3.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-fluorophenyl)propylamino]ethanol
CID 43151168
N-[2-(2-fluorophenyl)ethyl]-1-phenylbutan-1-amine
CID 43108094
3-(2-ethylphenyl)-3-(propylamino)propan-1-ol
CID 65235088
2-[2-(2-fluorophenyl)ethylamino]-2-phenylethanol
CID 110012007
3-(4-chlorophenyl)-3-(propylamino)propan-1-ol
CID 64813025
1-(4-fluorophenyl)-N-(3-methylsulfinylpropyl)pentan-1-amine
CID 115721013
2-[(2-ethylphenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 64681384
2-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643636
N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine
CID 103780964
1-(4-fluorophenyl)-N-(3-phenylpropyl)propan-1-amine
CID 43096991
3-naphthalen-2-yl-3-(propylamino)propan-1-ol
CID 64814482
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethylphenyl)ethylamino]-3-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 3-[2-(2-ethylphenyl)ethylamino]-3-(4-fluorophenyl)propan-1-ol (CID 166233486) is 3-[2-(2-ethylphenyl)ethylamino]-3-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-[2-(2-ethylphenyl)ethylamino]-3-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-[2-(2-ethylphenyl)ethylamino]-3-(4-fluorophenyl)propan-1-ol is CCc1ccccc1CCNC(CCO)c1ccc(F)cc1.
What is the InChIKey of 3-[2-(2-ethylphenyl)ethylamino]-3-(4-fluorophenyl)propan-1-ol?
The InChIKey is KCNMJQIKNOJBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO/c1-2-15-5-3-4-6-16(15)11-13-21-19(12-14-22)17-7-9-18(20)10-8-17/h3-10,19,21-22H,2,11-14H2,1H3.
What are the key properties of 3-[2-(2-ethylphenyl)ethylamino]-3-(4-fluorophenyl)propan-1-ol?
3-[2-(2-ethylphenyl)ethylamino]-3-(4-fluorophenyl)propan-1-ol has a molecular weight of 301.41 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethylphenyl)ethylamino]-3-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 166233486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).