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

C17H18ClF2N — CID 107884568

IUPAC1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
SMILESCCNC(Cc1cccc(F)c1)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C17H18ClF2N/c1-2-21-15(9-12-4-3-5-14(19)8-12)10-13-6-7-16(18)17(20)11-13/h3-8,11,15,21H,2,9-10H2,1H3
InChIKeyINDDCMJFOHPTOG-UHFFFAOYSA-N
MW309.79 g/mol
LogP4.38
Rot. Bonds6

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

1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine (PubChem CID 107884568) has the molecular formula C17H18ClF2N and a molecular weight of 309.79 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
PubChem CID107884568
Molecular FormulaC17H18ClF2N
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
SMILESCCNC(Cc1cccc(F)c1)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C17H18ClF2N/c1-2-21-15(9-12-4-3-5-14(19)8-12)10-13-6-7-16(18)17(20)11-13/h3-8,11,15,21H,2,9-10H2,1H3
InChIKeyINDDCMJFOHPTOG-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-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 60819525
1-(4-chloro-3-fluorophenyl)-N-ethylbutan-2-amine
CID 107884533
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 107884603
1-(5-chloro-2-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 103048515
1-(4-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-2-amine
CID 107884489
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 107884664
1-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 114012691
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-ethylsulfanylpropan-2-amine
CID 114012714
1-(2,5-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 43492963
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 79699790
2-N-ethyl-3-(3-fluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093303
N-ethyl-1-(3-fluorophenyl)-3-thiophen-3-ylpropan-2-amine
CID 62602151

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine (CID 107884568) is 1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine is CCNC(Cc1cccc(F)c1)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine?
The InChIKey is INDDCMJFOHPTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2N/c1-2-21-15(9-12-4-3-5-14(19)8-12)10-13-6-7-16(18)17(20)11-13/h3-8,11,15,21H,2,9-10H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine?
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(3-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-3-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine is sourced from PubChem (CID 107884568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).