4-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)cyclohexane-1-carboxamide

C15H21FN2O2 — CID 79526534

IUPAC4-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1cc(F)ccc1NC(=O)C1CCC(CN)CC1
InChIInChI=1S/C15H21FN2O2/c1-20-14-8-12(16)6-7-13(14)18-15(19)11-4-2-10(9-17)3-5-11/h6-8,10-11H,2-5,9,17H2,1H3,(H,18,19)
InChIKeyFXLNIEKQEZHFEQ-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.54
Rot. Bonds4

About 4-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)cyclohexane-1-carboxamide

4-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 79526534) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)cyclohexane-1-carboxamide
PubChem CID79526534
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name4-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1cc(F)ccc1NC(=O)C1CCC(CN)CC1
InChIInChI=1S/C15H21FN2O2/c1-20-14-8-12(16)6-7-13(14)18-15(19)11-4-2-10(9-17)3-5-11/h6-8,10-11H,2-5,9,17H2,1H3,(H,18,19)
InChIKeyFXLNIEKQEZHFEQ-UHFFFAOYSA-N
XLogP2.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(2-methoxyphenyl)cyclohexane-1-carboxamide
CID 79527313
4-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxamide
CID 79526871
(2S,5R)-5-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide
CID 120786966
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide
CID 81488925
ethyl 2-(4-fluoro-2-methoxyanilino)-2-oxoacetate
CID 54967859
cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 32611358
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-6-fluorobenzoic acid
CID 79511939
(2S)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide
CID 32608102
(2R,5S)-5-[(4-fluoro-2-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945091
N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]cyclopropanecarboxamide
CID 39193167
N-(4-fluoro-2-methoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 33284913

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)cyclohexane-1-carboxamide (CID 79526534) is 4-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)cyclohexane-1-carboxamide is COc1cc(F)ccc1NC(=O)C1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is FXLNIEKQEZHFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-20-14-8-12(16)6-7-13(14)18-15(19)11-4-2-10(9-17)3-5-11/h6-8,10-11H,2-5,9,17H2,1H3,(H,18,19).
What are the key properties of 4-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)cyclohexane-1-carboxamide?
4-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 280.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79526534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).