5-(aminomethyl)-2-(cyclopropylmethoxy)phenol;hydron;chloride

C11H16ClNO2 — CID 68694681

IUPAC5-(aminomethyl)-2-(cyclopropylmethoxy)phenol;hydron;chloride
SMILESNCc1ccc(OCC2CC2)c(O)c1.[Cl-].[H+]
InChIInChI=1S/C11H15NO2.ClH/c12-6-9-3-4-11(10(13)5-9)14-7-8-1-2-8;/h3-5,8,13H,1-2,6-7,12H2;1H
InChIKeySHURDNBBQLOOTL-UHFFFAOYSA-N
MW229.71 g/mol
LogP-1.24
Rot. Bonds4

About 5-(aminomethyl)-2-(cyclopropylmethoxy)phenol;hydron;chloride

5-(aminomethyl)-2-(cyclopropylmethoxy)phenol;hydron;chloride (PubChem CID 68694681) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(cyclopropylmethoxy)phenol;hydron;chloride.

Molecular Properties

Compound Name5-(aminomethyl)-2-(cyclopropylmethoxy)phenol;hydron;chloride
PubChem CID68694681
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name5-(aminomethyl)-2-(cyclopropylmethoxy)phenol;hydron;chloride
SMILESNCc1ccc(OCC2CC2)c(O)c1.[Cl-].[H+]
InChIInChI=1S/C11H15NO2.ClH/c12-6-9-3-4-11(10(13)5-9)14-7-8-1-2-8;/h3-5,8,13H,1-2,6-7,12H2;1H
InChIKeySHURDNBBQLOOTL-UHFFFAOYSA-N
XLogP-1.24
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(cyclopropylmethoxy)-3-iodophenyl]methanamine
CID 169488705
[3-(cyclopropylmethoxy)-4-methylphenyl]methanamine
CID 107655653
[3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine
CID 65457318
[3-bromo-4-(cyclohexylmethoxy)phenyl]methanamine
CID 63046526
[4-(cyclohexylmethoxy)-3-ethoxyphenyl]methanamine
CID 43122482
[3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine
CID 43122515
5-(aminomethyl)-2-methoxyphenol
CID 1132998
5-(aminomethyl)-2-(difluoromethoxy)phenol
CID 59300031
5-(cyclopropylmethyl)-2-methoxyphenol
CID 115015182
[2-(cycloheptylmethoxy)-4-pyridinyl]methanamine
CID 114247934
1-(cyclopropylmethoxy)-4-ethyl-2-methylbenzene
CID 155323138
(E)-2-[[4-(cyclopropylmethoxy)-3-fluorophenyl]methyl]-3-fluoroprop-2-en-1-amine
CID 66982673

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(cyclopropylmethoxy)phenol;hydron;chloride?
The IUPAC name of 5-(aminomethyl)-2-(cyclopropylmethoxy)phenol;hydron;chloride (CID 68694681) is 5-(aminomethyl)-2-(cyclopropylmethoxy)phenol;hydron;chloride.
What is the SMILES notation for 5-(aminomethyl)-2-(cyclopropylmethoxy)phenol;hydron;chloride?
The canonical SMILES for 5-(aminomethyl)-2-(cyclopropylmethoxy)phenol;hydron;chloride is NCc1ccc(OCC2CC2)c(O)c1.[Cl-].[H+].
What is the InChIKey of 5-(aminomethyl)-2-(cyclopropylmethoxy)phenol;hydron;chloride?
The InChIKey is SHURDNBBQLOOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c12-6-9-3-4-11(10(13)5-9)14-7-8-1-2-8;/h3-5,8,13H,1-2,6-7,12H2;1H.
What are the key properties of 5-(aminomethyl)-2-(cyclopropylmethoxy)phenol;hydron;chloride?
5-(aminomethyl)-2-(cyclopropylmethoxy)phenol;hydron;chloride has a molecular weight of 229.71 g/mol, XLogP of -1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(cyclopropylmethoxy)phenol;hydron;chloride is sourced from PubChem (CID 68694681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).