[1-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol

C15H23NO — CID 115243633

IUPAC[1-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol
SMILESCc1ccc(CCNCC2(CO)CC2)c(C)c1
InChIInChI=1S/C15H23NO/c1-12-3-4-14(13(2)9-12)5-8-16-10-15(11-17)6-7-15/h3-4,9,16-17H,5-8,10-11H2,1-2H3
InChIKeyCVUUBWPWCMIAPD-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.21
Rot. Bonds6

About [1-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol

[1-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol (PubChem CID 115243633) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is [1-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol
PubChem CID115243633
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name[1-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol
SMILESCc1ccc(CCNCC2(CO)CC2)c(C)c1
InChIInChI=1S/C15H23NO/c1-12-3-4-14(13(2)9-12)5-8-16-10-15(11-17)6-7-15/h3-4,9,16-17H,5-8,10-11H2,1-2H3
InChIKeyCVUUBWPWCMIAPD-UHFFFAOYSA-N
XLogP2.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115243065
[1-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]cyclohexyl]methanol
CID 81418469
[1-[[2-(3,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243618
2-(2,4-dimethylphenyl)-N-ethylethanamine
CID 62801673
[1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclopropyl]methanol
CID 115243693
2-(2,4-dimethylphenyl)-N-(methoxymethyl)ethanamine
CID 115258819
1-(2,4-dimethylphenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol
CID 115454663
[1-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol
CID 115246983
2-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115221646
[1-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243621
[1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol
CID 115246948
[1-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243653

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol (CID 115243633) is [1-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol is Cc1ccc(CCNCC2(CO)CC2)c(C)c1.
What is the InChIKey of [1-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol?
The InChIKey is CVUUBWPWCMIAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-3-4-14(13(2)9-12)5-8-16-10-15(11-17)6-7-15/h3-4,9,16-17H,5-8,10-11H2,1-2H3.
What are the key properties of [1-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol?
[1-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol has a molecular weight of 233.35 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 115243633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).