1-(2-chloro-5-fluorophenyl)-5-phenylpentan-2-amine

C17H19ClFN — CID 102622741

IUPAC1-(2-chloro-5-fluorophenyl)-5-phenylpentan-2-amine
SMILESNC(CCCc1ccccc1)Cc1cc(F)ccc1Cl
InChIInChI=1S/C17H19ClFN/c18-17-10-9-15(19)11-14(17)12-16(20)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-11,16H,4,7-8,12,20H2
InChIKeyRVNYTIZHIBIOLF-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.37
Rot. Bonds6

About 1-(2-chloro-5-fluorophenyl)-5-phenylpentan-2-amine

1-(2-chloro-5-fluorophenyl)-5-phenylpentan-2-amine (PubChem CID 102622741) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-5-phenylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-5-phenylpentan-2-amine
PubChem CID102622741
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name1-(2-chloro-5-fluorophenyl)-5-phenylpentan-2-amine
SMILESNC(CCCc1ccccc1)Cc1cc(F)ccc1Cl
InChIInChI=1S/C17H19ClFN/c18-17-10-9-15(19)11-14(17)12-16(20)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-11,16H,4,7-8,12,20H2
InChIKeyRVNYTIZHIBIOLF-UHFFFAOYSA-N
XLogP4.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-5-phenylpentan-2-amine
CID 64559852
1-(2-chloro-5-fluorophenyl)-4-(furan-2-yl)butan-2-amine
CID 102622645
1-(2-chloro-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine
CID 102618765
1-(2,4-difluorophenyl)-4-phenylbutan-2-amine
CID 62196088
1-(2-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine
CID 102618839
1-(4-fluoro-2-methylphenyl)-4-phenylbutan-2-amine
CID 114347745
1-(3-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine
CID 102618465
1-(2-chloro-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 102618741
2-(2-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethanamine
CID 102618794
1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105133282
6-(2-chloro-5-fluorophenyl)-2-methylhexan-3-amine
CID 102620442
1-(2-chloro-3-fluorophenyl)-4-phenylbutan-2-amine
CID 112653635

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-5-phenylpentan-2-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-5-phenylpentan-2-amine (CID 102622741) is 1-(2-chloro-5-fluorophenyl)-5-phenylpentan-2-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-5-phenylpentan-2-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-5-phenylpentan-2-amine is NC(CCCc1ccccc1)Cc1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-5-phenylpentan-2-amine?
The InChIKey is RVNYTIZHIBIOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c18-17-10-9-15(19)11-14(17)12-16(20)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-11,16H,4,7-8,12,20H2.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-5-phenylpentan-2-amine?
1-(2-chloro-5-fluorophenyl)-5-phenylpentan-2-amine has a molecular weight of 291.80 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-5-phenylpentan-2-amine is sourced from PubChem (CID 102622741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).