1-[2-fluoro-5-(2-methylpropoxy)phenyl]butan-1-amine

C14H22FNO — CID 83988832

IUPAC1-[2-fluoro-5-(2-methylpropoxy)phenyl]butan-1-amine
SMILESCCCC(N)c1cc(OCC(C)C)ccc1F
InChIInChI=1S/C14H22FNO/c1-4-5-14(16)12-8-11(6-7-13(12)15)17-9-10(2)3/h6-8,10,14H,4-5,9,16H2,1-3H3
InChIKeyIGLVRDQZECQUBL-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.66
Rot. Bonds6

About 1-[2-fluoro-5-(2-methylpropoxy)phenyl]butan-1-amine

1-[2-fluoro-5-(2-methylpropoxy)phenyl]butan-1-amine (PubChem CID 83988832) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-[2-fluoro-5-(2-methylpropoxy)phenyl]butan-1-amine.

Molecular Properties

Compound Name1-[2-fluoro-5-(2-methylpropoxy)phenyl]butan-1-amine
PubChem CID83988832
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-[2-fluoro-5-(2-methylpropoxy)phenyl]butan-1-amine
SMILESCCCC(N)c1cc(OCC(C)C)ccc1F
InChIInChI=1S/C14H22FNO/c1-4-5-14(16)12-8-11(6-7-13(12)15)17-9-10(2)3/h6-8,10,14H,4-5,9,16H2,1-3H3
InChIKeyIGLVRDQZECQUBL-UHFFFAOYSA-N
XLogP3.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-fluoro-5-(2-methylpropoxy)phenyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluoro-5-propoxyphenyl)butan-1-amine
CID 83988799
1-[2-ethyl-4-(2-methylpropoxy)phenyl]butan-1-amine
CID 82551989
(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]butan-1-amine
CID 171235861
(1S)-1-(2-fluoro-5-methoxyphenyl)hexan-1-amine
CID 171229236
(1R)-1-(2-fluoro-5-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171209636
(1S)-1-(2-fluoro-5-methoxyphenyl)propane-1,3-diamine
CID 171229223
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-4-methylpentan-1-amine
CID 171216263
(1R)-1-(2-fluoro-5-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171209640
2-(1-amino-3-methylbutyl)-4-(2-methylpropoxy)aniline
CID 83988070
1-[2-bromo-5-(2-methylpropoxy)phenyl]ethanamine
CID 83988813
2-bromo-1-fluoro-4-(2-methylpentoxy)benzene
CID 83233407
1-[2,5-dimethyl-4-(2-methylpropoxy)phenyl]butan-1-amine
CID 82552270

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(2-methylpropoxy)phenyl]butan-1-amine?
The IUPAC name of 1-[2-fluoro-5-(2-methylpropoxy)phenyl]butan-1-amine (CID 83988832) is 1-[2-fluoro-5-(2-methylpropoxy)phenyl]butan-1-amine.
What is the SMILES notation for 1-[2-fluoro-5-(2-methylpropoxy)phenyl]butan-1-amine?
The canonical SMILES for 1-[2-fluoro-5-(2-methylpropoxy)phenyl]butan-1-amine is CCCC(N)c1cc(OCC(C)C)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-(2-methylpropoxy)phenyl]butan-1-amine?
The InChIKey is IGLVRDQZECQUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-5-14(16)12-8-11(6-7-13(12)15)17-9-10(2)3/h6-8,10,14H,4-5,9,16H2,1-3H3.
What are the key properties of 1-[2-fluoro-5-(2-methylpropoxy)phenyl]butan-1-amine?
1-[2-fluoro-5-(2-methylpropoxy)phenyl]butan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(2-methylpropoxy)phenyl]butan-1-amine is sourced from PubChem (CID 83988832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).