2-(3-fluoro-4-pentan-3-ylphenyl)propan-1-amine

C14H22FN — CID 117320877

IUPAC2-(3-fluoro-4-pentan-3-ylphenyl)propan-1-amine
SMILESCCC(CC)c1ccc(C(C)CN)cc1F
InChIInChI=1S/C14H22FN/c1-4-11(5-2)13-7-6-12(8-14(13)15)10(3)9-16/h6-8,10-11H,4-5,9,16H2,1-3H3
InChIKeyYSLHYISJRITKJN-UHFFFAOYSA-N
MW223.33 g/mol
LogP3.79
Rot. Bonds5

About 2-(3-fluoro-4-pentan-3-ylphenyl)propan-1-amine

2-(3-fluoro-4-pentan-3-ylphenyl)propan-1-amine (PubChem CID 117320877) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is 2-(3-fluoro-4-pentan-3-ylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-fluoro-4-pentan-3-ylphenyl)propan-1-amine
PubChem CID117320877
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC Name2-(3-fluoro-4-pentan-3-ylphenyl)propan-1-amine
SMILESCCC(CC)c1ccc(C(C)CN)cc1F
InChIInChI=1S/C14H22FN/c1-4-11(5-2)13-7-6-12(8-14(13)15)10(3)9-16/h6-8,10-11H,4-5,9,16H2,1-3H3
InChIKeyYSLHYISJRITKJN-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-4-pentan-3-ylphenyl)ethanamine
CID 83834604
2-(3,4-difluorophenyl)butan-1-amine
CID 82075197
2-(4-butan-2-yl-3-chlorophenyl)propan-1-amine
CID 117324646
(1S)-1-[4-(difluoromethyl)-2-fluorophenyl]propan-1-amine
CID 131406912
2-fluoro-1-pentan-3-yl-4-(trifluoromethyl)benzene
CID 162605330
(2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride
CID 170910887
1-[1-(3-fluoro-4-pentan-3-ylphenyl)cyclopropyl]ethanamine
CID 117377665
5-(1-aminopropan-2-yl)-2-(hydroxymethyl)phenol
CID 117278773
2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine
CID 117382128
2-(3,4-dimethylphenyl)propan-1-amine
CID 43316823
1-bromo-4-[(2S)-butan-2-yl]-2-fluorobenzene
CID 153332149
3-fluoro-4-pentan-3-ylbenzoic acid
CID 83834789

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-pentan-3-ylphenyl)propan-1-amine?
The IUPAC name of 2-(3-fluoro-4-pentan-3-ylphenyl)propan-1-amine (CID 117320877) is 2-(3-fluoro-4-pentan-3-ylphenyl)propan-1-amine.
What is the SMILES notation for 2-(3-fluoro-4-pentan-3-ylphenyl)propan-1-amine?
The canonical SMILES for 2-(3-fluoro-4-pentan-3-ylphenyl)propan-1-amine is CCC(CC)c1ccc(C(C)CN)cc1F.
What is the InChIKey of 2-(3-fluoro-4-pentan-3-ylphenyl)propan-1-amine?
The InChIKey is YSLHYISJRITKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-4-11(5-2)13-7-6-12(8-14(13)15)10(3)9-16/h6-8,10-11H,4-5,9,16H2,1-3H3.
What are the key properties of 2-(3-fluoro-4-pentan-3-ylphenyl)propan-1-amine?
2-(3-fluoro-4-pentan-3-ylphenyl)propan-1-amine has a molecular weight of 223.33 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-pentan-3-ylphenyl)propan-1-amine is sourced from PubChem (CID 117320877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).