2-(3-amino-4-methylanilino)-1-cyclopropylethanol

C12H18N2O — CID 63295237

IUPAC2-(3-amino-4-methylanilino)-1-cyclopropylethanol
SMILESCc1ccc(NCC(O)C2CC2)cc1N
InChIInChI=1S/C12H18N2O/c1-8-2-5-10(6-11(8)13)14-7-12(15)9-3-4-9/h2,5-6,9,12,14-15H,3-4,7,13H2,1H3
InChIKeyAOOFORFBMWFAEG-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.76
Rot. Bonds4

About 2-(3-amino-4-methylanilino)-1-cyclopropylethanol

2-(3-amino-4-methylanilino)-1-cyclopropylethanol (PubChem CID 63295237) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(3-amino-4-methylanilino)-1-cyclopropylethanol.

Molecular Properties

Compound Name2-(3-amino-4-methylanilino)-1-cyclopropylethanol
PubChem CID63295237
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(3-amino-4-methylanilino)-1-cyclopropylethanol
SMILESCc1ccc(NCC(O)C2CC2)cc1N
InChIInChI=1S/C12H18N2O/c1-8-2-5-10(6-11(8)13)14-7-12(15)9-3-4-9/h2,5-6,9,12,14-15H,3-4,7,13H2,1H3
InChIKeyAOOFORFBMWFAEG-UHFFFAOYSA-N
XLogP1.76
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-[(2-cyclopropyl-2-hydroxyethyl)amino]benzenesulfonamide
CID 79467427
2-(4-amino-3-ethoxyanilino)-1-cyclopropylethanol
CID 55232564
1-(3-amino-4-methylanilino)-4-methylpentan-2-ol
CID 107151145
2-[(6-amino-3-pyridinyl)amino]-1-cyclopropylethanol
CID 63294753
4-methyl-1-N-(2,3,3-trimethylbutyl)benzene-1,3-diamine
CID 83142252
1-cyclopropyl-2-[(1-methyl-2,3-dihydroindol-5-yl)amino]ethanol
CID 165483721
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbenzamide
CID 63294587
4-methyl-1-N-(oxan-4-ylmethyl)benzene-1,3-diamine
CID 63725269
2-(2-amino-5-bromoanilino)-1-cyclopropylethanol
CID 65342466
3-[(2-cyclopropyl-2-hydroxyethyl)amino]benzonitrile
CID 102822318
4-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-(trifluoromethyl)benzonitrile
CID 79098279
3-(3-amino-4-methylanilino)-2,2-dimethylpropan-1-ol
CID 115358124

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methylanilino)-1-cyclopropylethanol?
The IUPAC name of 2-(3-amino-4-methylanilino)-1-cyclopropylethanol (CID 63295237) is 2-(3-amino-4-methylanilino)-1-cyclopropylethanol.
What is the SMILES notation for 2-(3-amino-4-methylanilino)-1-cyclopropylethanol?
The canonical SMILES for 2-(3-amino-4-methylanilino)-1-cyclopropylethanol is Cc1ccc(NCC(O)C2CC2)cc1N.
What is the InChIKey of 2-(3-amino-4-methylanilino)-1-cyclopropylethanol?
The InChIKey is AOOFORFBMWFAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8-2-5-10(6-11(8)13)14-7-12(15)9-3-4-9/h2,5-6,9,12,14-15H,3-4,7,13H2,1H3.
What are the key properties of 2-(3-amino-4-methylanilino)-1-cyclopropylethanol?
2-(3-amino-4-methylanilino)-1-cyclopropylethanol has a molecular weight of 206.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methylanilino)-1-cyclopropylethanol is sourced from PubChem (CID 63295237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).