3-(2-bicyclo[2.2.1]heptanyl)-2-fluoropropan-1-amine

C10H18FN — CID 112562649

IUPAC3-(2-bicyclo[2.2.1]heptanyl)-2-fluoropropan-1-amine
SMILESNCC(F)CC1CC2CCC1C2
InChIInChI=1S/C10H18FN/c11-10(6-12)5-9-4-7-1-2-8(9)3-7/h7-10H,1-6,12H2
InChIKeyAJWGGGXISNDYSD-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.11
Rot. Bonds3

About 3-(2-bicyclo[2.2.1]heptanyl)-2-fluoropropan-1-amine

3-(2-bicyclo[2.2.1]heptanyl)-2-fluoropropan-1-amine (PubChem CID 112562649) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanyl)-2-fluoropropan-1-amine.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanyl)-2-fluoropropan-1-amine
PubChem CID112562649
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name3-(2-bicyclo[2.2.1]heptanyl)-2-fluoropropan-1-amine
SMILESNCC(F)CC1CC2CCC1C2
InChIInChI=1S/C10H18FN/c11-10(6-12)5-9-4-7-1-2-8(9)3-7/h7-10H,1-6,12H2
InChIKeyAJWGGGXISNDYSD-UHFFFAOYSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoropropan-2-amine
CID 103516898
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopropylethanol
CID 79557935
2,3-bis(2-bicyclo[2.2.1]heptanylmethyl)butanedioic acid
CID 151505965
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine
CID 79559439
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclobutylethanamine
CID 79562076
dipropan-2-yl 2-(2-bicyclo[2.2.1]heptanylmethyl)propanedioate
CID 103972716
1-(2-bicyclo[2.2.1]heptanyl)-3,4-dimethylpentan-2-amine
CID 105012891
1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine
CID 79557968
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol
CID 79558057
2-(2-bicyclo[2.2.1]heptanyl)-1-(6-bicyclo[3.1.0]hexanyl)ethanol
CID 115821223
1-(2-bicyclo[2.2.1]heptanyl)-2-methylpentan-3-amine
CID 79559608

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-2-fluoropropan-1-amine?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-2-fluoropropan-1-amine (CID 112562649) is 3-(2-bicyclo[2.2.1]heptanyl)-2-fluoropropan-1-amine.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanyl)-2-fluoropropan-1-amine?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanyl)-2-fluoropropan-1-amine is NCC(F)CC1CC2CCC1C2.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanyl)-2-fluoropropan-1-amine?
The InChIKey is AJWGGGXISNDYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c11-10(6-12)5-9-4-7-1-2-8(9)3-7/h7-10H,1-6,12H2.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanyl)-2-fluoropropan-1-amine?
3-(2-bicyclo[2.2.1]heptanyl)-2-fluoropropan-1-amine has a molecular weight of 171.26 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanyl)-2-fluoropropan-1-amine is sourced from PubChem (CID 112562649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).