3-(2-fluorophenyl)-2-methylpentan-3-amine

C12H18FN — CID 62501287

IUPAC3-(2-fluorophenyl)-2-methylpentan-3-amine
SMILESCCC(N)(c1ccccc1F)C(C)C
InChIInChI=1S/C12H18FN/c1-4-12(14,9(2)3)10-7-5-6-8-11(10)13/h5-9H,4,14H2,1-3H3
InChIKeyIJCQOGRXUJVBIL-UHFFFAOYSA-N
MW195.28 g/mol
LogP3.05
Rot. Bonds3

About 3-(2-fluorophenyl)-2-methylpentan-3-amine

3-(2-fluorophenyl)-2-methylpentan-3-amine (PubChem CID 62501287) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-methylpentan-3-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-methylpentan-3-amine
PubChem CID62501287
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name3-(2-fluorophenyl)-2-methylpentan-3-amine
SMILESCCC(N)(c1ccccc1F)C(C)C
InChIInChI=1S/C12H18FN/c1-4-12(14,9(2)3)10-7-5-6-8-11(10)13/h5-9H,4,14H2,1-3H3
InChIKeyIJCQOGRXUJVBIL-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-difluoro-2-(2-fluorophenyl)butan-2-amine
CID 112680130
2-(azepan-1-yl)-3-(2-fluorophenyl)pentan-3-amine
CID 43830525
3-(2-fluorophenyl)-4-N,4-N-dipropylhexane-3,4-diamine
CID 43830575
3-(2-ethoxyphenyl)-2-methylpentan-3-amine
CID 62802052
2-fluoro-2-(2-fluorophenyl)-3-methylbutan-1-amine
CID 112566875
2-(2-fluorophenyl)-1-phenylbutan-2-amine
CID 79007656
3-(2-fluorophenyl)-4-N,4-N,2-trimethylheptane-3,4-diamine
CID 43830618
1,1-bis(2-fluorophenyl)propan-1-ol
CID 112679425
3-(4-fluoro-3-methylphenyl)-2-methylpentan-3-amine
CID 62791449
3-(2-fluorophenyl)-2-N,2-N-dipropylhex-5-ene-2,3-diamine
CID 43830553
3-N,3-N-diethyl-4-(2-fluorophenyl)octane-3,4-diamine
CID 43830590
(2S)-2-amino-2-(2-fluorophenyl)propan-1-ol
CID 90016000

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-methylpentan-3-amine?
The IUPAC name of 3-(2-fluorophenyl)-2-methylpentan-3-amine (CID 62501287) is 3-(2-fluorophenyl)-2-methylpentan-3-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-2-methylpentan-3-amine?
The canonical SMILES for 3-(2-fluorophenyl)-2-methylpentan-3-amine is CCC(N)(c1ccccc1F)C(C)C.
What is the InChIKey of 3-(2-fluorophenyl)-2-methylpentan-3-amine?
The InChIKey is IJCQOGRXUJVBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-4-12(14,9(2)3)10-7-5-6-8-11(10)13/h5-9H,4,14H2,1-3H3.
What are the key properties of 3-(2-fluorophenyl)-2-methylpentan-3-amine?
3-(2-fluorophenyl)-2-methylpentan-3-amine has a molecular weight of 195.28 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-methylpentan-3-amine is sourced from PubChem (CID 62501287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).