5-(4-fluorophenyl)-5-(4-methylphenoxy)pentan-1-amine

C18H22FNO — CID 118530461

IUPAC5-(4-fluorophenyl)-5-(4-methylphenoxy)pentan-1-amine
SMILESCc1ccc(OC(CCCCN)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H22FNO/c1-14-5-11-17(12-6-14)21-18(4-2-3-13-20)15-7-9-16(19)10-8-15/h5-12,18H,2-4,13,20H2,1H3
InChIKeyLVNAZJALWYFQNI-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.38
Rot. Bonds7

About 5-(4-fluorophenyl)-5-(4-methylphenoxy)pentan-1-amine

5-(4-fluorophenyl)-5-(4-methylphenoxy)pentan-1-amine (PubChem CID 118530461) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-5-(4-methylphenoxy)pentan-1-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-5-(4-methylphenoxy)pentan-1-amine
PubChem CID118530461
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name5-(4-fluorophenyl)-5-(4-methylphenoxy)pentan-1-amine
SMILESCc1ccc(OC(CCCCN)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H22FNO/c1-14-5-11-17(12-6-14)21-18(4-2-3-13-20)15-7-9-16(19)10-8-15/h5-12,18H,2-4,13,20H2,1H3
InChIKeyLVNAZJALWYFQNI-UHFFFAOYSA-N
XLogP4.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methylphenoxy)-5-thiophen-2-ylpentan-1-amine
CID 118530471
2-(4-chloro-3-fluorophenoxy)-2-(4-methylphenyl)ethanamine
CID 82716544
5-(4-ethylphenoxy)-5-phenylpentan-1-amine
CID 118528023
1-fluoro-4-methylbenzene;3-methylbutan-1-amine
CID 178163375
N,N-dimethyl-5-(4-methylphenoxy)-5-phenylpentan-1-amine
CID 118530454
1-[3-chloro-1-(4-fluorophenyl)propoxy]-4-phenylbenzene
CID 22225851
1-[2-methoxy-1-(4-methylphenoxy)ethyl]-4-methylbenzene
CID 59273396
1-methyl-4-(1-phenylbutoxy)benzene
CID 59718095
5-phenyl-5-(4-phenylmethoxyphenoxy)pentan-1-amine
CID 118528022
(1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine
CID 171206167
1-[(1S)-3-chloro-1-phenoxypropyl]-4-fluorobenzene
CID 39364379
2-(4-bromo-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine
CID 83133763

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-5-(4-methylphenoxy)pentan-1-amine?
The IUPAC name of 5-(4-fluorophenyl)-5-(4-methylphenoxy)pentan-1-amine (CID 118530461) is 5-(4-fluorophenyl)-5-(4-methylphenoxy)pentan-1-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-5-(4-methylphenoxy)pentan-1-amine?
The canonical SMILES for 5-(4-fluorophenyl)-5-(4-methylphenoxy)pentan-1-amine is Cc1ccc(OC(CCCCN)c2ccc(F)cc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-5-(4-methylphenoxy)pentan-1-amine?
The InChIKey is LVNAZJALWYFQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-14-5-11-17(12-6-14)21-18(4-2-3-13-20)15-7-9-16(19)10-8-15/h5-12,18H,2-4,13,20H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-5-(4-methylphenoxy)pentan-1-amine?
5-(4-fluorophenyl)-5-(4-methylphenoxy)pentan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-5-(4-methylphenoxy)pentan-1-amine is sourced from PubChem (CID 118530461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).