N-[2-[1-(aminomethyl)cyclopropyl]-3-chloro-6-hydroxyphenyl]acetamide

C12H15ClN2O2 — CID 117389843

IUPACN-[2-[1-(aminomethyl)cyclopropyl]-3-chloro-6-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1c(O)ccc(Cl)c1C1(CN)CC1
InChIInChI=1S/C12H15ClN2O2/c1-7(16)15-11-9(17)3-2-8(13)10(11)12(6-14)4-5-12/h2-3,17H,4-6,14H2,1H3,(H,15,16)
InChIKeyMBPMRAQVOKRVSH-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.99
Rot. Bonds3

About N-[2-[1-(aminomethyl)cyclopropyl]-3-chloro-6-hydroxyphenyl]acetamide

N-[2-[1-(aminomethyl)cyclopropyl]-3-chloro-6-hydroxyphenyl]acetamide (PubChem CID 117389843) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is N-[2-[1-(aminomethyl)cyclopropyl]-3-chloro-6-hydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(aminomethyl)cyclopropyl]-3-chloro-6-hydroxyphenyl]acetamide
PubChem CID117389843
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC NameN-[2-[1-(aminomethyl)cyclopropyl]-3-chloro-6-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1c(O)ccc(Cl)c1C1(CN)CC1
InChIInChI=1S/C12H15ClN2O2/c1-7(16)15-11-9(17)3-2-8(13)10(11)12(6-14)4-5-12/h2-3,17H,4-6,14H2,1H3,(H,15,16)
InChIKeyMBPMRAQVOKRVSH-UHFFFAOYSA-N
XLogP1.99
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[1-(aminomethyl)cyclopropyl]-6-hydroxyphenyl]acetamide
CID 117314403
3-[1-(aminomethyl)cyclopropyl]-4-chloro-2-fluorophenol
CID 84784370
N-[3-chloro-6-hydroxy-2-(2-methylpyrrolidin-2-yl)phenyl]acetamide
CID 117425251
3-[1-(aminomethyl)cyclobutyl]-4-chlorobenzene-1,2-diol
CID 117327819
N-[2-(3-aminopropyl)-3-chloro-6-hydroxyphenyl]acetamide
CID 117358835
[1-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine
CID 117304722
N-[2-(1-aminocyclobutyl)-3-bromo-6-hydroxyphenyl]acetamide
CID 117481901
2-[1-(aminomethyl)cyclohexyl]-4-chloro-3-fluorophenol
CID 117397913
(2-acetamido-6-chloro-3-hydroxyphenyl)methanesulfonyl chloride
CID 117479727
3-(2-acetamido-6-chloro-3-hydroxyphenyl)-3-methylbutanoic acid
CID 117460212
methyl 2-(2-acetamido-6-chloro-3-hydroxyphenyl)-2-hydroxyacetate
CID 117436897
N-[2-(1-aminocyclopentyl)-3-chloro-6-methoxyphenyl]acetamide
CID 117454668

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(aminomethyl)cyclopropyl]-3-chloro-6-hydroxyphenyl]acetamide?
The IUPAC name of N-[2-[1-(aminomethyl)cyclopropyl]-3-chloro-6-hydroxyphenyl]acetamide (CID 117389843) is N-[2-[1-(aminomethyl)cyclopropyl]-3-chloro-6-hydroxyphenyl]acetamide.
What is the SMILES notation for N-[2-[1-(aminomethyl)cyclopropyl]-3-chloro-6-hydroxyphenyl]acetamide?
The canonical SMILES for N-[2-[1-(aminomethyl)cyclopropyl]-3-chloro-6-hydroxyphenyl]acetamide is CC(=O)Nc1c(O)ccc(Cl)c1C1(CN)CC1.
What is the InChIKey of N-[2-[1-(aminomethyl)cyclopropyl]-3-chloro-6-hydroxyphenyl]acetamide?
The InChIKey is MBPMRAQVOKRVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-7(16)15-11-9(17)3-2-8(13)10(11)12(6-14)4-5-12/h2-3,17H,4-6,14H2,1H3,(H,15,16).
What are the key properties of N-[2-[1-(aminomethyl)cyclopropyl]-3-chloro-6-hydroxyphenyl]acetamide?
N-[2-[1-(aminomethyl)cyclopropyl]-3-chloro-6-hydroxyphenyl]acetamide has a molecular weight of 254.72 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(aminomethyl)cyclopropyl]-3-chloro-6-hydroxyphenyl]acetamide is sourced from PubChem (CID 117389843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).