2-fluoro-2-(3-propan-2-yloxyphenyl)pentan-1-amine

C14H22FNO — CID 112567781

IUPAC2-fluoro-2-(3-propan-2-yloxyphenyl)pentan-1-amine
SMILESCCCC(F)(CN)c1cccc(OC(C)C)c1
InChIInChI=1S/C14H22FNO/c1-4-8-14(15,10-16)12-6-5-7-13(9-12)17-11(2)3/h5-7,9,11H,4,8,10,16H2,1-3H3
InChIKeyHIQQCSWCJOBTTO-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.40
Rot. Bonds6

About 2-fluoro-2-(3-propan-2-yloxyphenyl)pentan-1-amine

2-fluoro-2-(3-propan-2-yloxyphenyl)pentan-1-amine (PubChem CID 112567781) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 2-fluoro-2-(3-propan-2-yloxyphenyl)pentan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-(3-propan-2-yloxyphenyl)pentan-1-amine
PubChem CID112567781
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name2-fluoro-2-(3-propan-2-yloxyphenyl)pentan-1-amine
SMILESCCCC(F)(CN)c1cccc(OC(C)C)c1
InChIInChI=1S/C14H22FNO/c1-4-8-14(15,10-16)12-6-5-7-13(9-12)17-11(2)3/h5-7,9,11H,4,8,10,16H2,1-3H3
InChIKeyHIQQCSWCJOBTTO-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-propan-2-yloxyphenyl)pentan-2-ol
CID 97048457
2-(3-chlorophenyl)-2-fluoropentan-1-amine
CID 112567951
2,2-difluoro-2-(3-propan-2-yloxyphenyl)acetaldehyde
CID 105467397
1-pentan-2-yloxy-3-(trifluoromethyl)benzene
CID 54046925
2-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine
CID 112565916
3-(3-tert-butylphenoxy)butan-1-amine
CID 70646087
2-[3-(trifluoromethyl)phenoxy]propanamide
CID 57207149
N-tert-butyl-3-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine
CID 81021954
(2S,4R)-4-(aminomethyl)-4-(3-methoxyphenyl)heptan-2-ol
CID 125468139
1-amino-2-[3-(difluoromethoxy)phenyl]propan-2-ol
CID 107105450
2-[3-(trifluoromethyl)phenoxy]pentan-3-one
CID 64868237
2-fluoro-2-phenyldodecan-1-amine
CID 115918070

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(3-propan-2-yloxyphenyl)pentan-1-amine?
The IUPAC name of 2-fluoro-2-(3-propan-2-yloxyphenyl)pentan-1-amine (CID 112567781) is 2-fluoro-2-(3-propan-2-yloxyphenyl)pentan-1-amine.
What is the SMILES notation for 2-fluoro-2-(3-propan-2-yloxyphenyl)pentan-1-amine?
The canonical SMILES for 2-fluoro-2-(3-propan-2-yloxyphenyl)pentan-1-amine is CCCC(F)(CN)c1cccc(OC(C)C)c1.
What is the InChIKey of 2-fluoro-2-(3-propan-2-yloxyphenyl)pentan-1-amine?
The InChIKey is HIQQCSWCJOBTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-8-14(15,10-16)12-6-5-7-13(9-12)17-11(2)3/h5-7,9,11H,4,8,10,16H2,1-3H3.
What are the key properties of 2-fluoro-2-(3-propan-2-yloxyphenyl)pentan-1-amine?
2-fluoro-2-(3-propan-2-yloxyphenyl)pentan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(3-propan-2-yloxyphenyl)pentan-1-amine is sourced from PubChem (CID 112567781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).