1-(2-chloro-6-fluorophenyl)-2-phenylpentan-2-amine

C17H19ClFN — CID 63408457

IUPAC1-(2-chloro-6-fluorophenyl)-2-phenylpentan-2-amine
SMILESCCCC(N)(Cc1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C17H19ClFN/c1-2-11-17(20,13-7-4-3-5-8-13)12-14-15(18)9-6-10-16(14)19/h3-10H,2,11-12,20H2,1H3
InChIKeyYACLRYDCGDSOPQ-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.68
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-2-phenylpentan-2-amine

1-(2-chloro-6-fluorophenyl)-2-phenylpentan-2-amine (PubChem CID 63408457) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-2-phenylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-2-phenylpentan-2-amine
PubChem CID63408457
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name1-(2-chloro-6-fluorophenyl)-2-phenylpentan-2-amine
SMILESCCCC(N)(Cc1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C17H19ClFN/c1-2-11-17(20,13-7-4-3-5-8-13)12-14-15(18)9-6-10-16(14)19/h3-10H,2,11-12,20H2,1H3
InChIKeyYACLRYDCGDSOPQ-UHFFFAOYSA-N
XLogP4.68
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 ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-2-fluorophenyl)-2-phenylpentan-2-amine
CID 114853480
3-[(2-chloro-6-fluorophenyl)methyl]heptan-3-amine
CID 65020419
1-(5-chloro-2-fluorophenyl)-2-phenylpentan-2-amine
CID 103047860
2-[(2-chloro-6-fluorophenyl)methyl]-2-phenylbutan-1-amine
CID 63523052
1-(2,6-dichlorophenyl)-2-(2-fluorophenyl)butan-2-amine
CID 115996407
2-[(2-chloro-6-fluorophenyl)methyl]-2-propylpropane-1,3-diol
CID 79450730
3-(aminomethyl)-4-(2-chloro-6-fluorophenyl)-3-phenylbutan-2-ol
CID 66431963
3-phenylhexan-3-amine
CID 60794511
4-(2-chloro-6-fluorophenyl)-2-methylbutan-2-amine
CID 82113720
3-amino-2-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899828
4-[1-(2-chloro-6-fluorophenyl)-2-hydroxypropan-2-yl]phenol
CID 83075778
1-(2-chloro-6-fluorophenyl)-2-(3-methoxyphenyl)propan-2-amine
CID 61496061

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-phenylpentan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-phenylpentan-2-amine (CID 63408457) is 1-(2-chloro-6-fluorophenyl)-2-phenylpentan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-2-phenylpentan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-2-phenylpentan-2-amine is CCCC(N)(Cc1c(F)cccc1Cl)c1ccccc1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-2-phenylpentan-2-amine?
The InChIKey is YACLRYDCGDSOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-2-11-17(20,13-7-4-3-5-8-13)12-14-15(18)9-6-10-16(14)19/h3-10H,2,11-12,20H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-2-phenylpentan-2-amine?
1-(2-chloro-6-fluorophenyl)-2-phenylpentan-2-amine has a molecular weight of 291.80 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-2-phenylpentan-2-amine is sourced from PubChem (CID 63408457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).