4-[amino-(2-fluorophenyl)methyl]cyclohexane-1-carboxylic acid

C14H18FNO2 — CID 116938812

IUPAC4-[amino-(2-fluorophenyl)methyl]cyclohexane-1-carboxylic acid
SMILESNC(c1ccccc1F)C1CCC(C(=O)O)CC1
InChIInChI=1S/C14H18FNO2/c15-12-4-2-1-3-11(12)13(16)9-5-7-10(8-6-9)14(17)18/h1-4,9-10,13H,5-8,16H2,(H,17,18)
InChIKeyOKDIVZGDAJHUBE-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.72
Rot. Bonds3

About 4-[amino-(2-fluorophenyl)methyl]cyclohexane-1-carboxylic acid

4-[amino-(2-fluorophenyl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 116938812) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 4-[amino-(2-fluorophenyl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[amino-(2-fluorophenyl)methyl]cyclohexane-1-carboxylic acid
PubChem CID116938812
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name4-[amino-(2-fluorophenyl)methyl]cyclohexane-1-carboxylic acid
SMILESNC(c1ccccc1F)C1CCC(C(=O)O)CC1
InChIInChI=1S/C14H18FNO2/c15-12-4-2-1-3-11(12)13(16)9-5-7-10(8-6-9)14(17)18/h1-4,9-10,13H,5-8,16H2,(H,17,18)
InChIKeyOKDIVZGDAJHUBE-UHFFFAOYSA-N
XLogP2.72
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[amino-(2-bromophenyl)methyl]cyclohexane-1-carboxylic acid
CID 116938824
4-[amino-(2-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 116938818
4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexane-1-carboxylic acid
CID 116953971
(2-fluorophenyl)-(thian-4-yl)methanamine
CID 82391625
(2-fluorophenyl)-(oxan-4-yl)methanamine
CID 63934888
3-[(R)-amino(cyclopropyl)methyl]-4-fluorobenzoic acid
CID 162344495
3-bicyclo[3.1.0]hexanyl-(2-fluorophenyl)methanamine
CID 115828090
2,3-dihydro-1H-inden-2-yl-(2-fluorophenyl)methanamine
CID 65409529
(4-butylcyclohexyl)-(2-fluorophenyl)methanamine
CID 115827979
4-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexane-1-carboxylic acid
CID 104964080
2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride
CID 171200964
2-(2-fluorophenyl)-2-phenylacetamide
CID 122446902

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(2-fluorophenyl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[amino-(2-fluorophenyl)methyl]cyclohexane-1-carboxylic acid (CID 116938812) is 4-[amino-(2-fluorophenyl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[amino-(2-fluorophenyl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[amino-(2-fluorophenyl)methyl]cyclohexane-1-carboxylic acid is NC(c1ccccc1F)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[amino-(2-fluorophenyl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is OKDIVZGDAJHUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-12-4-2-1-3-11(12)13(16)9-5-7-10(8-6-9)14(17)18/h1-4,9-10,13H,5-8,16H2,(H,17,18).
What are the key properties of 4-[amino-(2-fluorophenyl)methyl]cyclohexane-1-carboxylic acid?
4-[amino-(2-fluorophenyl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 251.30 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(2-fluorophenyl)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 116938812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).