1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine

C17H18ClF2N — CID 114855387

IUPAC1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
SMILESCCNC(Cc1ccccc1F)Cc1ccc(Cl)cc1F
InChIInChI=1S/C17H18ClF2N/c1-2-21-15(9-12-5-3-4-6-16(12)19)10-13-7-8-14(18)11-17(13)20/h3-8,11,15,21H,2,9-10H2,1H3
InChIKeyZYRLQKTWKIPQEX-UHFFFAOYSA-N
MW309.79 g/mol
LogP4.38
Rot. Bonds6

About 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine

1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine (PubChem CID 114855387) has the molecular formula C17H18ClF2N and a molecular weight of 309.79 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
PubChem CID114855387
Molecular FormulaC17H18ClF2N
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
SMILESCCNC(Cc1ccccc1F)Cc1ccc(Cl)cc1F
InChIInChI=1S/C17H18ClF2N/c1-2-21-15(9-12-5-3-4-6-16(12)19)10-13-7-8-14(18)11-17(13)20/h3-8,11,15,21H,2,9-10H2,1H3
InChIKeyZYRLQKTWKIPQEX-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 62196900
1-(4-chlorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 60818141
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 114855538
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxypropan-2-amine
CID 114855390
1-(4-chloro-2-fluorophenyl)-N-ethylnonan-2-amine
CID 105055551
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine
CID 114855283
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105190483
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 62605376
1-(4-chloro-2-fluorophenyl)-N-ethyl-5-methoxy-4-methylpentan-2-amine
CID 105190411
2-(4-chloro-2-fluorophenyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 105055242
1-(5-chloro-2-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 103048515
1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 103048614

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine (CID 114855387) is 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine is CCNC(Cc1ccccc1F)Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine?
The InChIKey is ZYRLQKTWKIPQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2N/c1-2-21-15(9-12-5-3-4-6-16(12)19)10-13-7-8-14(18)11-17(13)20/h3-8,11,15,21H,2,9-10H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine?
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine has a molecular weight of 309.79 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 114855387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).