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

C16H22FNO2 — CID 62270870

IUPAC1-[[(2-fluorophenyl)methyl-methylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCN(Cc1ccccc1F)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C16H22FNO2/c1-18(11-13-7-3-4-8-14(13)17)12-16(15(19)20)9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,19,20)
InChIKeyFJVVOULLEKAKPC-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.29
Rot. Bonds5

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

1-[[(2-fluorophenyl)methyl-methylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 62270870) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-[[(2-fluorophenyl)methyl-methylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-fluorophenyl)methyl-methylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID62270870
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name1-[[(2-fluorophenyl)methyl-methylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCN(Cc1ccccc1F)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C16H22FNO2/c1-18(11-13-7-3-4-8-14(13)17)12-16(15(19)20)9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,19,20)
InChIKeyFJVVOULLEKAKPC-UHFFFAOYSA-N
XLogP3.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carboxylic acid
CID 62270527
1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 55055654
N-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
CID 115184122
4-[[(2-fluorophenyl)methyl-methylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498515
1-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]cyclobutane-1-carboxylic acid
CID 115246561
4-[[(2-bromophenyl)methyl-methylamino]methyl]oxane-4-carboxylic acid
CID 62391190
N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65241957
1-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexane-1-carboxylic acid
CID 62269993
3-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxane-3-carboxylic acid
CID 63747090
1-(azepan-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 78791327
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43529529

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-fluorophenyl)methyl-methylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(2-fluorophenyl)methyl-methylamino]methyl]cyclohexane-1-carboxylic acid (CID 62270870) is 1-[[(2-fluorophenyl)methyl-methylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-fluorophenyl)methyl-methylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-fluorophenyl)methyl-methylamino]methyl]cyclohexane-1-carboxylic acid is CN(Cc1ccccc1F)CC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[(2-fluorophenyl)methyl-methylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is FJVVOULLEKAKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-18(11-13-7-3-4-8-14(13)17)12-16(15(19)20)9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,19,20).
What are the key properties of 1-[[(2-fluorophenyl)methyl-methylamino]methyl]cyclohexane-1-carboxylic acid?
1-[[(2-fluorophenyl)methyl-methylamino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 279.35 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-fluorophenyl)methyl-methylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 62270870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).