1-(4-fluorophenyl)-N-methyl-1-phenylpentan-2-amine

C18H22FN — CID 83047873

IUPAC1-(4-fluorophenyl)-N-methyl-1-phenylpentan-2-amine
SMILESCCCC(NC)C(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H22FN/c1-3-7-17(20-2)18(14-8-5-4-6-9-14)15-10-12-16(19)13-11-15/h4-6,8-13,17-18,20H,3,7H2,1-2H3
InChIKeyPGYROVCKTVDWIX-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.35
Rot. Bonds6

About 1-(4-fluorophenyl)-N-methyl-1-phenylpentan-2-amine

1-(4-fluorophenyl)-N-methyl-1-phenylpentan-2-amine (PubChem CID 83047873) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-1-phenylpentan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-1-phenylpentan-2-amine
PubChem CID83047873
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-(4-fluorophenyl)-N-methyl-1-phenylpentan-2-amine
SMILESCCCC(NC)C(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H22FN/c1-3-7-17(20-2)18(14-8-5-4-6-9-14)15-10-12-16(19)13-11-15/h4-6,8-13,17-18,20H,3,7H2,1-2H3
InChIKeyPGYROVCKTVDWIX-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-1-phenylpentan-2-amine
CID 83047108
1-(4-fluorophenyl)-N-methylbutan-1-amine
CID 16644602
1-(4-fluorophenyl)-N-methyl-2-propylpentan-1-amine
CID 82984028
1-(4-fluorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 43481338
4-(4-fluorophenyl)-N-methylhexan-3-amine
CID 79307068
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
N-[1-(4-fluorophenyl)propan-2-yl]-1-phenylbutan-1-amine
CID 63462583
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090
1-chloro-4-[1-(4-fluorophenyl)butyl]benzene
CID 143326829
1-(4-fluorophenyl)-1-N,2-N-bis(1-phenylethyl)butane-1,2-diamine
CID 78159070
1-(2,6-difluorophenyl)-N-methyl-3-phenylpentan-2-amine
CID 105055608
1-(1-bromo-2-phenylbutyl)-4-fluorobenzene
CID 63437368

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-1-phenylpentan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-1-phenylpentan-2-amine (CID 83047873) is 1-(4-fluorophenyl)-N-methyl-1-phenylpentan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-1-phenylpentan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-1-phenylpentan-2-amine is CCCC(NC)C(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-1-phenylpentan-2-amine?
The InChIKey is PGYROVCKTVDWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-3-7-17(20-2)18(14-8-5-4-6-9-14)15-10-12-16(19)13-11-15/h4-6,8-13,17-18,20H,3,7H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-1-phenylpentan-2-amine?
1-(4-fluorophenyl)-N-methyl-1-phenylpentan-2-amine has a molecular weight of 271.38 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-1-phenylpentan-2-amine is sourced from PubChem (CID 83047873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).