2-[2-(aminomethyl)phenyl]-N-[(4-hydroxycyclohexyl)methyl]acetamide

C16H24N2O2 — CID 106135698

IUPAC2-[2-(aminomethyl)phenyl]-N-[(4-hydroxycyclohexyl)methyl]acetamide
SMILESNCc1ccccc1CC(=O)NCC1CCC(O)CC1
InChIInChI=1S/C16H24N2O2/c17-10-14-4-2-1-3-13(14)9-16(20)18-11-12-5-7-15(19)8-6-12/h1-4,12,15,19H,5-11,17H2,(H,18,20)
InChIKeyPFMMMMRUYOFGME-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.36
Rot. Bonds5

About 2-[2-(aminomethyl)phenyl]-N-[(4-hydroxycyclohexyl)methyl]acetamide

2-[2-(aminomethyl)phenyl]-N-[(4-hydroxycyclohexyl)methyl]acetamide (PubChem CID 106135698) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-[(4-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-[(4-hydroxycyclohexyl)methyl]acetamide
PubChem CID106135698
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[2-(aminomethyl)phenyl]-N-[(4-hydroxycyclohexyl)methyl]acetamide
SMILESNCc1ccccc1CC(=O)NCC1CCC(O)CC1
InChIInChI=1S/C16H24N2O2/c17-10-14-4-2-1-3-13(14)9-16(20)18-11-12-5-7-15(19)8-6-12/h1-4,12,15,19H,5-11,17H2,(H,18,20)
InChIKeyPFMMMMRUYOFGME-UHFFFAOYSA-N
XLogP1.36
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106119007
2-[2-(aminomethyl)phenyl]-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107413174
2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 16791289
2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 81318520
N-[[2-(aminomethyl)phenyl]methyl]-2-cyclopropylacetamide
CID 62952151
N-[(4-chlorocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 106133730
N-[(4-hydroxycyclohexyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 106137813
2-[2-(aminomethyl)phenyl]-N-(3-cyclopentylpropyl)acetamide
CID 106011679
2-[2-(aminomethyl)phenyl]-N-(4-ethylcyclohexyl)acetamide
CID 81321943
methyl 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]phenyl]acetate
CID 106133501
N-[(4-hydroxycyclohexyl)methyl]-3-phenylsulfanylpropanamide
CID 106121354
2-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)acetamide
CID 81321885

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-[(4-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-[(4-hydroxycyclohexyl)methyl]acetamide (CID 106135698) is 2-[2-(aminomethyl)phenyl]-N-[(4-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-[(4-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-[(4-hydroxycyclohexyl)methyl]acetamide is NCc1ccccc1CC(=O)NCC1CCC(O)CC1.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-[(4-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is PFMMMMRUYOFGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-10-14-4-2-1-3-13(14)9-16(20)18-11-12-5-7-15(19)8-6-12/h1-4,12,15,19H,5-11,17H2,(H,18,20).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-[(4-hydroxycyclohexyl)methyl]acetamide?
2-[2-(aminomethyl)phenyl]-N-[(4-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 276.38 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-[(4-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 106135698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).