[1-(aminomethyl)-4-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone

C16H22FNO — CID 116604055

IUPAC[1-(aminomethyl)-4-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone
SMILESCc1cc(F)cc(C(=O)C2(CN)CCC(C)CC2)c1
InChIInChI=1S/C16H22FNO/c1-11-3-5-16(10-18,6-4-11)15(19)13-7-12(2)8-14(17)9-13/h7-9,11H,3-6,10,18H2,1-2H3
InChIKeyABABKBHJSOVHCN-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.47
Rot. Bonds3

About [1-(aminomethyl)-4-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone

[1-(aminomethyl)-4-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone (PubChem CID 116604055) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is [1-(aminomethyl)-4-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)-4-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone
PubChem CID116604055
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name[1-(aminomethyl)-4-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone
SMILESCc1cc(F)cc(C(=O)C2(CN)CCC(C)CC2)c1
InChIInChI=1S/C16H22FNO/c1-11-3-5-16(10-18,6-4-11)15(19)13-7-12(2)8-14(17)9-13/h7-9,11H,3-6,10,18H2,1-2H3
InChIKeyABABKBHJSOVHCN-UHFFFAOYSA-N
XLogP3.47
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)-4-methylcyclohexyl]-phenylmethanone
CID 116604093
1-(aminomethyl)-N-(3-fluoro-5-methylphenyl)-4-methylcyclohexane-1-carboxamide
CID 115442356
[1-(aminomethyl)-4-methylcyclohexyl]-naphthalen-2-ylmethanone
CID 116604104
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxyphenyl)methanone
CID 116604118
[1-(aminomethyl)-4-methylcyclohexyl]-(3-ethylphenyl)methanone
CID 116604116
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 114350504
[1-(aminomethyl)-4-methylcyclohexyl]-(3-cyclobutylphenyl)methanone
CID 114607743
1-(aminomethyl)-N-(3,5-difluorophenyl)-4-methylcyclohexane-1-carboxamide
CID 115441375
[1-(aminomethyl)-4-methylcyclohexyl]-(4-chloro-3-methoxyphenyl)methanone
CID 116604180
N-[1-(aminomethyl)-4-methylcyclohexyl]-3,5-difluorobenzamide
CID 63765902
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(2-bromo-4-fluorophenyl)ethanone
CID 116604035
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(2-bromo-5-fluorophenyl)ethanone
CID 116604069

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone?
The IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone (CID 116604055) is [1-(aminomethyl)-4-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for [1-(aminomethyl)-4-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone?
The canonical SMILES for [1-(aminomethyl)-4-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone is Cc1cc(F)cc(C(=O)C2(CN)CCC(C)CC2)c1.
What is the InChIKey of [1-(aminomethyl)-4-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone?
The InChIKey is ABABKBHJSOVHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-11-3-5-16(10-18,6-4-11)15(19)13-7-12(2)8-14(17)9-13/h7-9,11H,3-6,10,18H2,1-2H3.
What are the key properties of [1-(aminomethyl)-4-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone?
[1-(aminomethyl)-4-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone has a molecular weight of 263.36 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 116604055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).