1-[3-[1-(4-fluorophenyl)hexyl]phenyl]-N,N-dimethylmethanamine

C21H28FN — CID 142102832

IUPAC1-[3-[1-(4-fluorophenyl)hexyl]phenyl]-N,N-dimethylmethanamine
SMILESCCCCCC(c1ccc(F)cc1)c1cccc(CN(C)C)c1
InChIInChI=1S/C21H28FN/c1-4-5-6-10-21(18-11-13-20(22)14-12-18)19-9-7-8-17(15-19)16-23(2)3/h7-9,11-15,21H,4-6,10,16H2,1-3H3
InChIKeyQFJMHNMIENKIGQ-UHFFFAOYSA-N
MW313.46 g/mol
LogP5.60
Rot. Bonds8

About 1-[3-[1-(4-fluorophenyl)hexyl]phenyl]-N,N-dimethylmethanamine

1-[3-[1-(4-fluorophenyl)hexyl]phenyl]-N,N-dimethylmethanamine (PubChem CID 142102832) has the molecular formula C21H28FN and a molecular weight of 313.46 g/mol. Its IUPAC name is 1-[3-[1-(4-fluorophenyl)hexyl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-[1-(4-fluorophenyl)hexyl]phenyl]-N,N-dimethylmethanamine
PubChem CID142102832
Molecular FormulaC21H28FN
Molecular Weight313.46 g/mol
Exact Mass313.22
IUPAC Name1-[3-[1-(4-fluorophenyl)hexyl]phenyl]-N,N-dimethylmethanamine
SMILESCCCCCC(c1ccc(F)cc1)c1cccc(CN(C)C)c1
InChIInChI=1S/C21H28FN/c1-4-5-6-10-21(18-11-13-20(22)14-12-18)19-9-7-8-17(15-19)16-23(2)3/h7-9,11-15,21H,4-6,10,16H2,1-3H3
InChIKeyQFJMHNMIENKIGQ-UHFFFAOYSA-N
XLogP5.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.46
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-bis[1-(4-butylsulfanylphenyl)hexyl]benzene
CID 121386970
1-fluoro-4-[1-(4-methylphenyl)pentyl]benzene
CID 59102457
N-ethyl-N-methylethanamine;1-phenylheptylbenzene
CID 18402602
3-[(dimethylamino)methyl]-N-pentylaniline
CID 43688686
1-iodo-4-(1-phenylheptyl)benzene tetrafluoroborate
CID 174509361
1-iodo-4-(1-phenylheptyl)benzene
CID 57089203
1-hexadecyl-4-[1-(4-hexadecylphenyl)hexadecyl]benzene
CID 21436596
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
1-chloro-4-[1-(4-fluorophenyl)butyl]benzene
CID 143326829
1-(1-bromohexyl)-4-fluorobenzene
CID 63439344
1-(3-fluorophenyl)hexan-1-ol
CID 62607026
(5R)-N,N-dimethyl-5-(3-methylphenyl)-5-phenylpentan-1-amine
CID 122424794

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(4-fluorophenyl)hexyl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-[1-(4-fluorophenyl)hexyl]phenyl]-N,N-dimethylmethanamine (CID 142102832) is 1-[3-[1-(4-fluorophenyl)hexyl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-[1-(4-fluorophenyl)hexyl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-[1-(4-fluorophenyl)hexyl]phenyl]-N,N-dimethylmethanamine is CCCCCC(c1ccc(F)cc1)c1cccc(CN(C)C)c1.
What is the InChIKey of 1-[3-[1-(4-fluorophenyl)hexyl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is QFJMHNMIENKIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN/c1-4-5-6-10-21(18-11-13-20(22)14-12-18)19-9-7-8-17(15-19)16-23(2)3/h7-9,11-15,21H,4-6,10,16H2,1-3H3.
What are the key properties of 1-[3-[1-(4-fluorophenyl)hexyl]phenyl]-N,N-dimethylmethanamine?
1-[3-[1-(4-fluorophenyl)hexyl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 313.46 g/mol, XLogP of 5.60, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(4-fluorophenyl)hexyl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 142102832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).