4-[1-(cyclopropylmethylamino)-2-hydroxyethyl]-2,6-dimethylphenol

C14H21NO2 — CID 61055235

IUPAC4-[1-(cyclopropylmethylamino)-2-hydroxyethyl]-2,6-dimethylphenol
SMILESCc1cc(C(CO)NCC2CC2)cc(C)c1O
InChIInChI=1S/C14H21NO2/c1-9-5-12(6-10(2)14(9)17)13(8-16)15-7-11-3-4-11/h5-6,11,13,15-17H,3-4,7-8H2,1-2H3
InChIKeyZDRXVWVLGPBXJR-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.04
Rot. Bonds5

About 4-[1-(cyclopropylmethylamino)-2-hydroxyethyl]-2,6-dimethylphenol

4-[1-(cyclopropylmethylamino)-2-hydroxyethyl]-2,6-dimethylphenol (PubChem CID 61055235) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[1-(cyclopropylmethylamino)-2-hydroxyethyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[1-(cyclopropylmethylamino)-2-hydroxyethyl]-2,6-dimethylphenol
PubChem CID61055235
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-[1-(cyclopropylmethylamino)-2-hydroxyethyl]-2,6-dimethylphenol
SMILESCc1cc(C(CO)NCC2CC2)cc(C)c1O
InChIInChI=1S/C14H21NO2/c1-9-5-12(6-10(2)14(9)17)13(8-16)15-7-11-3-4-11/h5-6,11,13,15-17H,3-4,7-8H2,1-2H3
InChIKeyZDRXVWVLGPBXJR-UHFFFAOYSA-N
XLogP2.04
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-methylphenyl)-2-(cyclopropylmethylamino)ethanol
CID 66481065
2-(cyclopropylmethylamino)-2-(4-methylphenyl)ethanol
CID 61056447
2-(cyclopropylmethylamino)-2-(3,4,5-trimethoxyphenyl)ethanol
CID 61054231
(2R)-2-(cyclopropylmethylamino)-2-phenylethanol
CID 93471769
2-(cyclopropylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol
CID 61055041
2-(cyclopropylmethylamino)-2-(4-fluoro-2-methylphenyl)ethanol
CID 62134825
2-(cyclopropylmethylamino)-2-thiophen-3-ylethanol
CID 61054631
2-(cyclopentylmethylamino)-2-(3-methylthiophen-2-yl)ethanol
CID 115907951
2-(cyclopropylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61055835
N-(cyclopropylmethyl)-1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 65385030
4-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2,6-dimethylphenol
CID 63182162
N-(cyclopropylmethyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 65382922

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropylmethylamino)-2-hydroxyethyl]-2,6-dimethylphenol?
The IUPAC name of 4-[1-(cyclopropylmethylamino)-2-hydroxyethyl]-2,6-dimethylphenol (CID 61055235) is 4-[1-(cyclopropylmethylamino)-2-hydroxyethyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[1-(cyclopropylmethylamino)-2-hydroxyethyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[1-(cyclopropylmethylamino)-2-hydroxyethyl]-2,6-dimethylphenol is Cc1cc(C(CO)NCC2CC2)cc(C)c1O.
What is the InChIKey of 4-[1-(cyclopropylmethylamino)-2-hydroxyethyl]-2,6-dimethylphenol?
The InChIKey is ZDRXVWVLGPBXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-5-12(6-10(2)14(9)17)13(8-16)15-7-11-3-4-11/h5-6,11,13,15-17H,3-4,7-8H2,1-2H3.
What are the key properties of 4-[1-(cyclopropylmethylamino)-2-hydroxyethyl]-2,6-dimethylphenol?
4-[1-(cyclopropylmethylamino)-2-hydroxyethyl]-2,6-dimethylphenol has a molecular weight of 235.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropylmethylamino)-2-hydroxyethyl]-2,6-dimethylphenol is sourced from PubChem (CID 61055235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).