4-(2-chloro-6-fluorophenyl)-N-ethyl-2-phenylbutan-1-amine

C18H21ClFN — CID 81027454

IUPAC4-(2-chloro-6-fluorophenyl)-N-ethyl-2-phenylbutan-1-amine
SMILESCCNCC(CCc1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C18H21ClFN/c1-2-21-13-15(14-7-4-3-5-8-14)11-12-16-17(19)9-6-10-18(16)20/h3-10,15,21H,2,11-13H2,1H3
InChIKeyKHPCZVNCVXBKHC-UHFFFAOYSA-N
MW305.82 g/mol
LogP4.80
Rot. Bonds7

About 4-(2-chloro-6-fluorophenyl)-N-ethyl-2-phenylbutan-1-amine

4-(2-chloro-6-fluorophenyl)-N-ethyl-2-phenylbutan-1-amine (PubChem CID 81027454) has the molecular formula C18H21ClFN and a molecular weight of 305.82 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-N-ethyl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-N-ethyl-2-phenylbutan-1-amine
PubChem CID81027454
Molecular FormulaC18H21ClFN
Molecular Weight305.82 g/mol
Exact Mass305.13
IUPAC Name4-(2-chloro-6-fluorophenyl)-N-ethyl-2-phenylbutan-1-amine
SMILESCCNCC(CCc1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C18H21ClFN/c1-2-21-13-15(14-7-4-3-5-8-14)11-12-16-17(19)9-6-10-18(16)20/h3-10,15,21H,2,11-13H2,1H3
InChIKeyKHPCZVNCVXBKHC-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.82
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,6-dichlorophenyl)-N-ethyl-2-phenylpropan-1-amine
CID 65429482
3-(2-chloro-6-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 63400371
4-(2,4-difluorophenyl)-N-ethyl-2-phenylbutan-1-amine
CID 81027876
3-(2-chloro-6-fluorophenyl)-1-phenyl-N-propylpropan-1-amine
CID 63400193
N-ethyl-2,4-diphenylbutan-1-amine
CID 81024071
2-(4-chlorophenyl)-3-(2,6-difluorophenyl)-N-ethylpropan-1-amine
CID 114933720
3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine
CID 103049753
4-(3-bromophenyl)-N-ethyl-2-phenylbutan-1-amine
CID 81024527
4-(2,6-difluorophenyl)-2-phenylbutan-1-amine
CID 114935148
4-(2,3-dichlorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 107311080
5-(2-chloro-6-fluorophenyl)-N-ethylpentan-2-amine
CID 64504471
1-(2-chloro-6-fluorophenyl)-4,4-dimethylpentan-3-amine
CID 61495975

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-N-ethyl-2-phenylbutan-1-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-N-ethyl-2-phenylbutan-1-amine (CID 81027454) is 4-(2-chloro-6-fluorophenyl)-N-ethyl-2-phenylbutan-1-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-N-ethyl-2-phenylbutan-1-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-N-ethyl-2-phenylbutan-1-amine is CCNCC(CCc1c(F)cccc1Cl)c1ccccc1.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-N-ethyl-2-phenylbutan-1-amine?
The InChIKey is KHPCZVNCVXBKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN/c1-2-21-13-15(14-7-4-3-5-8-14)11-12-16-17(19)9-6-10-18(16)20/h3-10,15,21H,2,11-13H2,1H3.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-N-ethyl-2-phenylbutan-1-amine?
4-(2-chloro-6-fluorophenyl)-N-ethyl-2-phenylbutan-1-amine has a molecular weight of 305.82 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-N-ethyl-2-phenylbutan-1-amine is sourced from PubChem (CID 81027454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).