2-(1-fluoroethyl)-4-methylpentan-1-amine

C8H18FN — CID 105429103

IUPAC2-(1-fluoroethyl)-4-methylpentan-1-amine
SMILESCC(C)CC(CN)C(C)F
InChIInChI=1S/C8H18FN/c1-6(2)4-8(5-10)7(3)9/h6-8H,4-5,10H2,1-3H3
InChIKeyXCQDFQIGKAKUSV-UHFFFAOYSA-N
MW147.24 g/mol
LogP1.97
Rot. Bonds4

About 2-(1-fluoroethyl)-4-methylpentan-1-amine

2-(1-fluoroethyl)-4-methylpentan-1-amine (PubChem CID 105429103) has the molecular formula C8H18FN and a molecular weight of 147.24 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-(1-fluoroethyl)-4-methylpentan-1-amine
PubChem CID105429103
Molecular FormulaC8H18FN
Molecular Weight147.24 g/mol
Exact Mass147.14
IUPAC Name2-(1-fluoroethyl)-4-methylpentan-1-amine
SMILESCC(C)CC(CN)C(C)F
InChIInChI=1S/C8H18FN/c1-6(2)4-8(5-10)7(3)9/h6-8H,4-5,10H2,1-3H3
InChIKeyXCQDFQIGKAKUSV-UHFFFAOYSA-N
XLogP1.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-fluoro-4-methylpentan-1-amine
CID 129375468
2-(1-fluoroethyl)-N'-methylpropane-1,3-diamine
CID 142196166
2-N-fluoro-4-methylpentane-1,2-diamine
CID 123548414
2-(2-methylpropyl)heptane-1,3-diamine
CID 20848283
(2S,4R)-2-fluoro-6-methylheptane-1,4-diamine
CID 176716912
(4R)-2-fluoro-6-methylheptane-1,4-diamine
CID 176716877
5-(aminomethyl)-2-methylheptan-4-ol
CID 65187754
1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine
CID 115407411
4-(aminomethyl)-2-cyclopropyl-6-methylheptan-3-ol
CID 83151026
2-methylpropan-1-amine;dihydrobromide
CID 172812560
4-methyl-2-N-propan-2-ylpentane-1,2-diamine
CID 62066978
(2S)-1,1-difluoro-4-methylpentan-2-amine
CID 130038441

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-4-methylpentan-1-amine?
The IUPAC name of 2-(1-fluoroethyl)-4-methylpentan-1-amine (CID 105429103) is 2-(1-fluoroethyl)-4-methylpentan-1-amine.
What is the SMILES notation for 2-(1-fluoroethyl)-4-methylpentan-1-amine?
The canonical SMILES for 2-(1-fluoroethyl)-4-methylpentan-1-amine is CC(C)CC(CN)C(C)F.
What is the InChIKey of 2-(1-fluoroethyl)-4-methylpentan-1-amine?
The InChIKey is XCQDFQIGKAKUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN/c1-6(2)4-8(5-10)7(3)9/h6-8H,4-5,10H2,1-3H3.
What are the key properties of 2-(1-fluoroethyl)-4-methylpentan-1-amine?
2-(1-fluoroethyl)-4-methylpentan-1-amine has a molecular weight of 147.24 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-4-methylpentan-1-amine is sourced from PubChem (CID 105429103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).