3-(2-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride

C16H25ClN2O2 — CID 120611060

IUPAC3-(2-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride
SMILESCl.Nc1ccccc1CCC(=O)NCC1CCCCC1O
InChIInChI=1S/C16H24N2O2.ClH/c17-14-7-3-1-5-12(14)9-10-16(20)18-11-13-6-2-4-8-15(13)19;/h1,3,5,7,13,15,19H,2,4,6,8-11,17H2,(H,18,20);1H
InChIKeyRIEGVPDRNYOATN-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.29
Rot. Bonds5

About 3-(2-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride

3-(2-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride (PubChem CID 120611060) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride
PubChem CID120611060
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name3-(2-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride
SMILESCl.Nc1ccccc1CCC(=O)NCC1CCCCC1O
InChIInChI=1S/C16H24N2O2.ClH/c17-14-7-3-1-5-12(14)9-10-16(20)18-11-13-6-2-4-8-15(13)19;/h1,3,5,7,13,15,19H,2,4,6,8-11,17H2,(H,18,20);1H
InChIKeyRIEGVPDRNYOATN-UHFFFAOYSA-N
XLogP2.29
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-(2-aminophenyl)-N-(thiolan-2-ylmethyl)propanamide;hydrochloride
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3-(2-aminophenyl)-N-(2-ethylcyclohexyl)propanamide;hydrochloride
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N-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide
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N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride (CID 120611060) is 3-(2-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride is Cl.Nc1ccccc1CCC(=O)NCC1CCCCC1O.
What is the InChIKey of 3-(2-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride?
The InChIKey is RIEGVPDRNYOATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c17-14-7-3-1-5-12(14)9-10-16(20)18-11-13-6-2-4-8-15(13)19;/h1,3,5,7,13,15,19H,2,4,6,8-11,17H2,(H,18,20);1H.
What are the key properties of 3-(2-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 120611060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).