N-[1-(aminomethyl)-2-methylcyclohexyl]-3-chloro-2-methylbenzamide

C16H23ClN2O — CID 107098315

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-3-chloro-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)NC1(CN)CCCCC1C
InChIInChI=1S/C16H23ClN2O/c1-11-6-3-4-9-16(11,10-18)19-15(20)13-7-5-8-14(17)12(13)2/h5,7-8,11H,3-4,6,9-10,18H2,1-2H3,(H,19,20)
InChIKeyTXTVGMDPOWEWSB-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.29
Rot. Bonds3

About N-[1-(aminomethyl)-2-methylcyclohexyl]-3-chloro-2-methylbenzamide

N-[1-(aminomethyl)-2-methylcyclohexyl]-3-chloro-2-methylbenzamide (PubChem CID 107098315) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-3-chloro-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-3-chloro-2-methylbenzamide
PubChem CID107098315
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-3-chloro-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)NC1(CN)CCCCC1C
InChIInChI=1S/C16H23ClN2O/c1-11-6-3-4-9-16(11,10-18)19-15(20)13-7-5-8-14(17)12(13)2/h5,7-8,11H,3-4,6,9-10,18H2,1-2H3,(H,19,20)
InChIKeyTXTVGMDPOWEWSB-UHFFFAOYSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dichlorobenzamide
CID 115308512
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-4-fluorobenzamide
CID 115308550
N-[1-(aminomethyl)-2-methylcyclohexyl]benzamide
CID 113283646
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-5-methylsulfanylbenzamide
CID 115308437
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dichlorobenzamide
CID 115308514
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-chloro-2-hydroxybenzamide
CID 115308656
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylthiophene-3-carboxamide
CID 115308378
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 115308618
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-hydroxy-5-iodobenzamide
CID 107732198
3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 107097755
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromothiophene-3-carboxamide
CID 107963717
methyl 3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-2-methylbenzoate
CID 120607450

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-3-chloro-2-methylbenzamide?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-3-chloro-2-methylbenzamide (CID 107098315) is N-[1-(aminomethyl)-2-methylcyclohexyl]-3-chloro-2-methylbenzamide.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-3-chloro-2-methylbenzamide?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-3-chloro-2-methylbenzamide is Cc1c(Cl)cccc1C(=O)NC1(CN)CCCCC1C.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-3-chloro-2-methylbenzamide?
The InChIKey is TXTVGMDPOWEWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-11-6-3-4-9-16(11,10-18)19-15(20)13-7-5-8-14(17)12(13)2/h5,7-8,11H,3-4,6,9-10,18H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-3-chloro-2-methylbenzamide?
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-chloro-2-methylbenzamide has a molecular weight of 294.83 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-3-chloro-2-methylbenzamide is sourced from PubChem (CID 107098315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).