2-[(2-chloro-6-fluorophenyl)methyl]-2-phenylbutan-1-amine

C17H19ClFN — CID 63523052

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-2-phenylbutan-1-amine
SMILESCCC(CN)(Cc1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C17H19ClFN/c1-2-17(12-20,13-7-4-3-5-8-13)11-14-15(18)9-6-10-16(14)19/h3-10H,2,11-12,20H2,1H3
InChIKeyJBJBSXFLAXZJMC-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.33
Rot. Bonds5

About 2-[(2-chloro-6-fluorophenyl)methyl]-2-phenylbutan-1-amine

2-[(2-chloro-6-fluorophenyl)methyl]-2-phenylbutan-1-amine (PubChem CID 63523052) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-2-phenylbutan-1-amine.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-2-phenylbutan-1-amine
PubChem CID63523052
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-2-phenylbutan-1-amine
SMILESCCC(CN)(Cc1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C17H19ClFN/c1-2-17(12-20,13-7-4-3-5-8-13)11-14-15(18)9-6-10-16(14)19/h3-10H,2,11-12,20H2,1H3
InChIKeyJBJBSXFLAXZJMC-UHFFFAOYSA-N
XLogP4.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(aminomethyl)-4-(2-chloro-6-fluorophenyl)-3-phenylbutan-2-ol
CID 66431963
1-(2-chloro-6-fluorophenyl)-2-phenylpentan-2-amine
CID 63408457
2-[(4-chlorophenyl)methyl]-2-phenylbutan-1-amine
CID 55106585
2-(aminomethyl)-3-(2-chloro-6-fluorophenyl)-2-(2-methylphenyl)propan-1-ol
CID 106506065
2-[(3,4-dichlorophenyl)methyl]-2-phenylbutan-1-amine
CID 63523051
(2S)-2-(aminomethyl)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
CID 42329945
2-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine
CID 115430577
1-(2,6-dichlorophenyl)-2-(2-fluorophenyl)butan-2-amine
CID 115996407
3-[(2-chloro-6-fluorophenyl)methyl]heptan-3-amine
CID 65020419
3,3-bis[(2-chloro-6-fluorophenyl)methyl]pentane-2,4-dione
CID 1488014
2-[(4-methylphenyl)methyl]-2-phenylbutan-1-amine
CID 55106632
2-(2-chloro-6-fluorophenyl)-2-propylpentan-1-amine
CID 63515341

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-2-phenylbutan-1-amine?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-2-phenylbutan-1-amine (CID 63523052) is 2-[(2-chloro-6-fluorophenyl)methyl]-2-phenylbutan-1-amine.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-2-phenylbutan-1-amine?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-2-phenylbutan-1-amine is CCC(CN)(Cc1c(F)cccc1Cl)c1ccccc1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-2-phenylbutan-1-amine?
The InChIKey is JBJBSXFLAXZJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-2-17(12-20,13-7-4-3-5-8-13)11-14-15(18)9-6-10-16(14)19/h3-10H,2,11-12,20H2,1H3.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-2-phenylbutan-1-amine?
2-[(2-chloro-6-fluorophenyl)methyl]-2-phenylbutan-1-amine has a molecular weight of 291.80 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-2-phenylbutan-1-amine is sourced from PubChem (CID 63523052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).