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

C18H21ClFN — CID 103039913

IUPAC1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
SMILESCCNC(Cc1ccc(F)c(Cl)c1)Cc1ccccc1C
InChIInChI=1S/C18H21ClFN/c1-3-21-16(12-15-7-5-4-6-13(15)2)10-14-8-9-18(20)17(19)11-14/h4-9,11,16,21H,3,10,12H2,1-2H3
InChIKeyLHFXBUGGPCMSHU-UHFFFAOYSA-N
MW305.82 g/mol
LogP4.55
Rot. Bonds6

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

1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(2-methylphenyl)propan-2-amine (PubChem CID 103039913) has the molecular formula C18H21ClFN and a molecular weight of 305.82 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
PubChem CID103039913
Molecular FormulaC18H21ClFN
Molecular Weight305.82 g/mol
Exact Mass305.13
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
SMILESCCNC(Cc1ccc(F)c(Cl)c1)Cc1ccccc1C
InChIInChI=1S/C18H21ClFN/c1-3-21-16(12-15-7-5-4-6-13(15)2)10-14-8-9-18(20)17(19)11-14/h4-9,11,16,21H,3,10,12H2,1-2H3
InChIKeyLHFXBUGGPCMSHU-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.82
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 107884603
1-(3-chloro-4-fluorophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine
CID 103042950
1-(4-chlorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 60818141
1-(3-chlorophenyl)-N-ethyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105373667
1-(2-chlorophenyl)-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347786
1-(3-chloro-4-fluorophenyl)-N-ethylnonan-2-amine
CID 103043062
1-(5-chloro-2-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 103048515
1-(3-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-2-amine
CID 60817944
1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 103040087
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 114855387
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 107884568
1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine
CID 63411998

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(2-methylphenyl)propan-2-amine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(2-methylphenyl)propan-2-amine (CID 103039913) is 1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(2-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(2-methylphenyl)propan-2-amine is CCNC(Cc1ccc(F)c(Cl)c1)Cc1ccccc1C.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(2-methylphenyl)propan-2-amine?
The InChIKey is LHFXBUGGPCMSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN/c1-3-21-16(12-15-7-5-4-6-13(15)2)10-14-8-9-18(20)17(19)11-14/h4-9,11,16,21H,3,10,12H2,1-2H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(2-methylphenyl)propan-2-amine?
1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(2-methylphenyl)propan-2-amine has a molecular weight of 305.82 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 103039913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).