4-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)butan-1-amine

C14H20FNO2 — CID 117386233

IUPAC4-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)butan-1-amine
SMILESCOc1cc(F)cc(CCCCN)c1OC1CC1
InChIInChI=1S/C14H20FNO2/c1-17-13-9-11(15)8-10(4-2-3-7-16)14(13)18-12-5-6-12/h8-9,12H,2-7,16H2,1H3
InChIKeyXZKOLWOOQPIWIV-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.66
Rot. Bonds7

About 4-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)butan-1-amine

4-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)butan-1-amine (PubChem CID 117386233) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name4-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)butan-1-amine
PubChem CID117386233
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name4-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)butan-1-amine
SMILESCOc1cc(F)cc(CCCCN)c1OC1CC1
InChIInChI=1S/C14H20FNO2/c1-17-13-9-11(15)8-10(4-2-3-7-16)14(13)18-12-5-6-12/h8-9,12H,2-7,16H2,1H3
InChIKeyXZKOLWOOQPIWIV-UHFFFAOYSA-N
XLogP2.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)propan-1-amine
CID 117483705
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-amine
CID 117350804
4-(4-fluoro-2-methoxyphenyl)butan-1-amine
CID 117287200
3-(2-cyclopropyloxy-5-fluorophenyl)propan-1-amine
CID 117298784
4-(3-bromo-2-cyclopropyloxy-5-methylphenyl)butan-1-amine
CID 117480540
[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117448113
3-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpropanoic acid
CID 117424223
3-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propanoic acid
CID 117426162
2-(3-aminopropyl)-4-fluoro-6-methoxyphenol
CID 117288585
4-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)butan-1-amine
CID 117479607
3-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-amine
CID 83887887
[5-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117474992

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)butan-1-amine?
The IUPAC name of 4-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)butan-1-amine (CID 117386233) is 4-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)butan-1-amine.
What is the SMILES notation for 4-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)butan-1-amine?
The canonical SMILES for 4-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)butan-1-amine is COc1cc(F)cc(CCCCN)c1OC1CC1.
What is the InChIKey of 4-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)butan-1-amine?
The InChIKey is XZKOLWOOQPIWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-17-13-9-11(15)8-10(4-2-3-7-16)14(13)18-12-5-6-12/h8-9,12H,2-7,16H2,1H3.
What are the key properties of 4-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)butan-1-amine?
4-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)butan-1-amine has a molecular weight of 253.32 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)butan-1-amine is sourced from PubChem (CID 117386233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).