5-(2-fluoro-4-methoxyphenyl)pentan-1-amine

C12H18FNO — CID 65305702

IUPAC5-(2-fluoro-4-methoxyphenyl)pentan-1-amine
SMILESCOc1ccc(CCCCCN)c(F)c1
InChIInChI=1S/C12H18FNO/c1-15-11-7-6-10(12(13)9-11)5-3-2-4-8-14/h6-7,9H,2-5,8,14H2,1H3
InChIKeySTSCPRRRSXQIIH-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.51
Rot. Bonds6

About 5-(2-fluoro-4-methoxyphenyl)pentan-1-amine

5-(2-fluoro-4-methoxyphenyl)pentan-1-amine (PubChem CID 65305702) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 5-(2-fluoro-4-methoxyphenyl)pentan-1-amine.

Molecular Properties

Compound Name5-(2-fluoro-4-methoxyphenyl)pentan-1-amine
PubChem CID65305702
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name5-(2-fluoro-4-methoxyphenyl)pentan-1-amine
SMILESCOc1ccc(CCCCCN)c(F)c1
InChIInChI=1S/C12H18FNO/c1-15-11-7-6-10(12(13)9-11)5-3-2-4-8-14/h6-7,9H,2-5,8,14H2,1H3
InChIKeySTSCPRRRSXQIIH-UHFFFAOYSA-N
XLogP2.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.51
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

4-(5-methoxy-2-methylphenyl)butan-1-amine
CID 66581549
N-ethyl-4-(2-fluoro-4-methoxyphenyl)butan-1-amine
CID 65303375
3-(2-bromo-4-methoxyphenyl)propan-1-amine
CID 82622371
1-[3-(2-fluoro-4-methoxyphenyl)propyl]cyclopropan-1-amine
CID 83910871
N-tert-butyl-4-(2-fluoro-4-methoxyphenyl)butan-1-amine
CID 65303427
4-(4-fluoro-2-methoxyphenyl)butan-1-amine
CID 117287200
N-[3-(2-fluoro-4-methoxyphenyl)propyl]-2-methylpropan-2-amine
CID 103396732
5-(4-methoxyphenyl)pentan-1-amine
CID 11507342
CID 59418410
CID 59418410
10-(4-methoxyphenyl)decan-1-amine
CID 70566558
(2-fluoro-4-methoxyphenyl)methyl-methylazanide
CID 89077895
4-(4-methoxyphenyl)butan-1-amine;hydrochloride
CID 22715047

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-methoxyphenyl)pentan-1-amine?
The IUPAC name of 5-(2-fluoro-4-methoxyphenyl)pentan-1-amine (CID 65305702) is 5-(2-fluoro-4-methoxyphenyl)pentan-1-amine.
What is the SMILES notation for 5-(2-fluoro-4-methoxyphenyl)pentan-1-amine?
The canonical SMILES for 5-(2-fluoro-4-methoxyphenyl)pentan-1-amine is COc1ccc(CCCCCN)c(F)c1.
What is the InChIKey of 5-(2-fluoro-4-methoxyphenyl)pentan-1-amine?
The InChIKey is STSCPRRRSXQIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-15-11-7-6-10(12(13)9-11)5-3-2-4-8-14/h6-7,9H,2-5,8,14H2,1H3.
What are the key properties of 5-(2-fluoro-4-methoxyphenyl)pentan-1-amine?
5-(2-fluoro-4-methoxyphenyl)pentan-1-amine has a molecular weight of 211.28 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-methoxyphenyl)pentan-1-amine is sourced from PubChem (CID 65305702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).