1-cyclobutyl-3-(3-fluoro-4-methoxyphenyl)propan-2-amine

C14H20FNO — CID 103168395

IUPAC1-cyclobutyl-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(N)CC2CCC2)cc1F
InChIInChI=1S/C14H20FNO/c1-17-14-6-5-11(9-13(14)15)8-12(16)7-10-3-2-4-10/h5-6,9-10,12H,2-4,7-8,16H2,1H3
InChIKeyBHLZJNFSCNKYCM-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.89
Rot. Bonds5

About 1-cyclobutyl-3-(3-fluoro-4-methoxyphenyl)propan-2-amine

1-cyclobutyl-3-(3-fluoro-4-methoxyphenyl)propan-2-amine (PubChem CID 103168395) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-cyclobutyl-3-(3-fluoro-4-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
PubChem CID103168395
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-cyclobutyl-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(N)CC2CCC2)cc1F
InChIInChI=1S/C14H20FNO/c1-17-14-6-5-11(9-13(14)15)8-12(16)7-10-3-2-4-10/h5-6,9-10,12H,2-4,7-8,16H2,1H3
InChIKeyBHLZJNFSCNKYCM-UHFFFAOYSA-N
XLogP2.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine
CID 115829847
1-(3-ethoxycyclobutyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 103168394
[1-cycloheptyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine
CID 105292967
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65398856
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829604
1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine
CID 105122103
[1-cyclooctyl-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105255092
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63889804
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 65399384
1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine
CID 62605642
1-(3-fluoro-4-methoxyphenyl)-3-(thian-4-yl)propan-2-ol
CID 105084457

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(3-fluoro-4-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-cyclobutyl-3-(3-fluoro-4-methoxyphenyl)propan-2-amine (CID 103168395) is 1-cyclobutyl-3-(3-fluoro-4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-cyclobutyl-3-(3-fluoro-4-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-cyclobutyl-3-(3-fluoro-4-methoxyphenyl)propan-2-amine is COc1ccc(CC(N)CC2CCC2)cc1F.
What is the InChIKey of 1-cyclobutyl-3-(3-fluoro-4-methoxyphenyl)propan-2-amine?
The InChIKey is BHLZJNFSCNKYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-17-14-6-5-11(9-13(14)15)8-12(16)7-10-3-2-4-10/h5-6,9-10,12H,2-4,7-8,16H2,1H3.
What are the key properties of 1-cyclobutyl-3-(3-fluoro-4-methoxyphenyl)propan-2-amine?
1-cyclobutyl-3-(3-fluoro-4-methoxyphenyl)propan-2-amine has a molecular weight of 237.32 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(3-fluoro-4-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 103168395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).