4-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxamide

C15H21FN2O — CID 79526871

IUPAC4-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(F)cc1NC(=O)C1CCC(CN)CC1
InChIInChI=1S/C15H21FN2O/c1-10-2-7-13(16)8-14(10)18-15(19)12-5-3-11(9-17)4-6-12/h2,7-8,11-12H,3-6,9,17H2,1H3,(H,18,19)
InChIKeyFDSJPDGQMPTLBS-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.84
Rot. Bonds3

About 4-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxamide

4-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 79526871) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxamide
PubChem CID79526871
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name4-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(F)cc1NC(=O)C1CCC(CN)CC1
InChIInChI=1S/C15H21FN2O/c1-10-2-7-13(16)8-14(10)18-15(19)12-5-3-11(9-17)4-6-12/h2,7-8,11-12H,3-6,9,17H2,1H3,(H,18,19)
InChIKeyFDSJPDGQMPTLBS-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-(5-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 79527030
4-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)cyclohexane-1-carboxamide
CID 79526534
N-(2,5-difluorophenyl)-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151145
3-[(5-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782434
2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-6-fluorobenzoic acid
CID 79511939
(1S,5R)-N-(5-fluoro-2-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 51451511
(1R,5R)-N-(5-fluoro-2-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 98398540
2-amino-N-(5-fluoro-2-methylphenyl)acetamide
CID 24700155
N-(5-fluoro-2-methylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013638
N-[2-(3-aminopropanoylamino)-4-fluorophenyl]cyclopropanecarboxamide
CID 82034301
4-(aminomethyl)-N-(2-methoxyphenyl)cyclohexane-1-carboxamide
CID 79527313
4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]cyclohexane-1-carboxamide
CID 104963718

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxamide (CID 79526871) is 4-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxamide is Cc1ccc(F)cc1NC(=O)C1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is FDSJPDGQMPTLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-10-2-7-13(16)8-14(10)18-15(19)12-5-3-11(9-17)4-6-12/h2,7-8,11-12H,3-6,9,17H2,1H3,(H,18,19).
What are the key properties of 4-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxamide?
4-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 264.34 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79526871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).