3-(2-aminophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide;hydrochloride

C17H27ClN2O — CID 120608242

IUPAC3-(2-aminophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide;hydrochloride
SMILESCC1CCC(N(C)C(=O)CCc2ccccc2N)CC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-13-7-10-15(11-8-13)19(2)17(20)12-9-14-5-3-4-6-16(14)18;/h3-6,13,15H,7-12,18H2,1-2H3;1H
InChIKeySGPPJTLECXPPOS-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.66
Rot. Bonds4

About 3-(2-aminophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide;hydrochloride

3-(2-aminophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide;hydrochloride (PubChem CID 120608242) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide;hydrochloride
PubChem CID120608242
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name3-(2-aminophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide;hydrochloride
SMILESCC1CCC(N(C)C(=O)CCc2ccccc2N)CC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-13-7-10-15(11-8-13)19(2)17(20)12-9-14-5-3-4-6-16(14)18;/h3-6,13,15H,7-12,18H2,1-2H3;1H
InChIKeySGPPJTLECXPPOS-UHFFFAOYSA-N
XLogP3.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)-N-cycloheptyl-N-methylpropanamide;hydrochloride
CID 120608410
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopropyl-N-methylacetamide
CID 61489153
3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120610600
3-(2-aminophenyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]propanamide
CID 120608816
3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-methylpropanamide
CID 54883935
2-(2-aminophenyl)-N-cyclohexyl-N-methylacetamide
CID 16793266
3-(2-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)propanamide;hydrochloride
CID 120611307
3-(2-aminophenyl)-N-cyclopentyl-N-ethylpropanamide
CID 43541570
3-(2-aminophenyl)-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide;hydrochloride
CID 120610537
3-(2-aminophenyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide
CID 120610765
3-(2-aminophenyl)-N-methyl-N-phenylpropanamide
CID 28713868
3-(2-aminophenyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide
CID 120613030

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide;hydrochloride (CID 120608242) is 3-(2-aminophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide;hydrochloride is CC1CCC(N(C)C(=O)CCc2ccccc2N)CC1.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide;hydrochloride?
The InChIKey is SGPPJTLECXPPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-13-7-10-15(11-8-13)19(2)17(20)12-9-14-5-3-4-6-16(14)18;/h3-6,13,15H,7-12,18H2,1-2H3;1H.
What are the key properties of 3-(2-aminophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide;hydrochloride?
3-(2-aminophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide;hydrochloride is sourced from PubChem (CID 120608242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).