4-(4-fluoro-2-methoxyphenyl)butan-1-amine

C11H16FNO — CID 117287200

IUPAC4-(4-fluoro-2-methoxyphenyl)butan-1-amine
SMILESCOc1cc(F)ccc1CCCCN
InChIInChI=1S/C11H16FNO/c1-14-11-8-10(12)6-5-9(11)4-2-3-7-13/h5-6,8H,2-4,7,13H2,1H3
InChIKeyKFAKOMHEBZFRRC-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.12
Rot. Bonds5

About 4-(4-fluoro-2-methoxyphenyl)butan-1-amine

4-(4-fluoro-2-methoxyphenyl)butan-1-amine (PubChem CID 117287200) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 4-(4-fluoro-2-methoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name4-(4-fluoro-2-methoxyphenyl)butan-1-amine
PubChem CID117287200
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name4-(4-fluoro-2-methoxyphenyl)butan-1-amine
SMILESCOc1cc(F)ccc1CCCCN
InChIInChI=1S/C11H16FNO/c1-14-11-8-10(12)6-5-9(11)4-2-3-7-13/h5-6,8H,2-4,7,13H2,1H3
InChIKeyKFAKOMHEBZFRRC-UHFFFAOYSA-N
XLogP2.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.12
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

2-(4-fluoro-2-methoxyphenyl)ethanamine
CID 55254856
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
3-[4-fluoro-2-(methoxymethyl)phenyl]propan-1-amine
CID 117287231
3-(5-fluoro-2-methoxyphenoxy)propan-1-amine
CID 15034471
5-(2-fluoro-4-methoxyphenyl)pentan-1-amine
CID 65305702
2-(3-aminopropyl)-4-fluoro-6-methoxyphenol
CID 117288585
3-(4-ethyl-2-methoxyphenyl)propan-1-amine
CID 83878516
(1S)-1-(4-fluoro-2-methoxyphenyl)pentane-1,5-diamine
CID 171224881
O-[4-(5-fluoro-2-methoxyphenyl)butyl]hydroxylamine
CID 95441631
4-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)butan-1-amine
CID 117386233
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
3-(2,5-dimethoxy-4-pentylphenyl)propan-1-amine
CID 176899183

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methoxyphenyl)butan-1-amine?
The IUPAC name of 4-(4-fluoro-2-methoxyphenyl)butan-1-amine (CID 117287200) is 4-(4-fluoro-2-methoxyphenyl)butan-1-amine.
What is the SMILES notation for 4-(4-fluoro-2-methoxyphenyl)butan-1-amine?
The canonical SMILES for 4-(4-fluoro-2-methoxyphenyl)butan-1-amine is COc1cc(F)ccc1CCCCN.
What is the InChIKey of 4-(4-fluoro-2-methoxyphenyl)butan-1-amine?
The InChIKey is KFAKOMHEBZFRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-14-11-8-10(12)6-5-9(11)4-2-3-7-13/h5-6,8H,2-4,7,13H2,1H3.
What are the key properties of 4-(4-fluoro-2-methoxyphenyl)butan-1-amine?
4-(4-fluoro-2-methoxyphenyl)butan-1-amine has a molecular weight of 197.25 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methoxyphenyl)butan-1-amine is sourced from PubChem (CID 117287200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).