1-(2,6-dichlorophenyl)-2-(2-fluorophenyl)butan-2-amine

C16H16Cl2FN — CID 115996407

IUPAC1-(2,6-dichlorophenyl)-2-(2-fluorophenyl)butan-2-amine
SMILESCCC(N)(Cc1c(Cl)cccc1Cl)c1ccccc1F
InChIInChI=1S/C16H16Cl2FN/c1-2-16(20,12-6-3-4-9-15(12)19)10-11-13(17)7-5-8-14(11)18/h3-9H,2,10,20H2,1H3
InChIKeyYRYCJDIASKTZDM-UHFFFAOYSA-N
MW312.21 g/mol
LogP4.94
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-2-(2-fluorophenyl)butan-2-amine

1-(2,6-dichlorophenyl)-2-(2-fluorophenyl)butan-2-amine (PubChem CID 115996407) has the molecular formula C16H16Cl2FN and a molecular weight of 312.21 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-2-(2-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-2-(2-fluorophenyl)butan-2-amine
PubChem CID115996407
Molecular FormulaC16H16Cl2FN
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name1-(2,6-dichlorophenyl)-2-(2-fluorophenyl)butan-2-amine
SMILESCCC(N)(Cc1c(Cl)cccc1Cl)c1ccccc1F
InChIInChI=1S/C16H16Cl2FN/c1-2-16(20,12-6-3-4-9-15(12)19)10-11-13(17)7-5-8-14(11)18/h3-9H,2,10,20H2,1H3
InChIKeyYRYCJDIASKTZDM-UHFFFAOYSA-N
XLogP4.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluorophenyl)-1-phenylbutan-2-amine
CID 79007656
3-(2-chlorophenyl)pentan-3-amine
CID 61029804
1-(2-chloro-6-fluorophenyl)-2-phenylpentan-2-amine
CID 63408457
1-(2-chlorophenyl)-2-(2-fluorophenyl)propan-2-amine
CID 60797963
2-(2-fluorophenyl)-1-(3-methylphenyl)butan-2-amine
CID 112679642
1-(2-chloro-6-fluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 61496162
3-[(2-chloro-6-fluorophenyl)methyl]heptan-3-amine
CID 65020419
2-(2-fluorophenyl)-1-pyridin-2-ylbutan-2-amine
CID 112679626
1-(5-bromo-2-fluorophenyl)-2-(2-fluorophenyl)butan-2-amine
CID 115996357
1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-amine
CID 112679617
1-(2,3-dichlorophenyl)-2-(2-fluorophenyl)butan-2-ol
CID 107307633
3-[(2,6-difluorophenyl)methyl]pentan-3-amine
CID 114931229

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-2-(2-fluorophenyl)butan-2-amine?
The IUPAC name of 1-(2,6-dichlorophenyl)-2-(2-fluorophenyl)butan-2-amine (CID 115996407) is 1-(2,6-dichlorophenyl)-2-(2-fluorophenyl)butan-2-amine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-2-(2-fluorophenyl)butan-2-amine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-2-(2-fluorophenyl)butan-2-amine is CCC(N)(Cc1c(Cl)cccc1Cl)c1ccccc1F.
What is the InChIKey of 1-(2,6-dichlorophenyl)-2-(2-fluorophenyl)butan-2-amine?
The InChIKey is YRYCJDIASKTZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FN/c1-2-16(20,12-6-3-4-9-15(12)19)10-11-13(17)7-5-8-14(11)18/h3-9H,2,10,20H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-2-(2-fluorophenyl)butan-2-amine?
1-(2,6-dichlorophenyl)-2-(2-fluorophenyl)butan-2-amine has a molecular weight of 312.21 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-2-(2-fluorophenyl)butan-2-amine is sourced from PubChem (CID 115996407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).