3-amino-1-cyclopropyl-2-(2-methoxy-5-methylphenyl)propan-1-ol

C14H21NO2 — CID 65185180

IUPAC3-amino-1-cyclopropyl-2-(2-methoxy-5-methylphenyl)propan-1-ol
SMILESCOc1ccc(C)cc1C(CN)C(O)C1CC1
InChIInChI=1S/C14H21NO2/c1-9-3-6-13(17-2)11(7-9)12(8-15)14(16)10-4-5-10/h3,6-7,10,12,14,16H,4-5,8,15H2,1-2H3
InChIKeyLRMNNEGIONUHMT-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.82
Rot. Bonds5

About 3-amino-1-cyclopropyl-2-(2-methoxy-5-methylphenyl)propan-1-ol

3-amino-1-cyclopropyl-2-(2-methoxy-5-methylphenyl)propan-1-ol (PubChem CID 65185180) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-amino-1-cyclopropyl-2-(2-methoxy-5-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-cyclopropyl-2-(2-methoxy-5-methylphenyl)propan-1-ol
PubChem CID65185180
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-amino-1-cyclopropyl-2-(2-methoxy-5-methylphenyl)propan-1-ol
SMILESCOc1ccc(C)cc1C(CN)C(O)C1CC1
InChIInChI=1S/C14H21NO2/c1-9-3-6-13(17-2)11(7-9)12(8-15)14(16)10-4-5-10/h3,6-7,10,12,14,16H,4-5,8,15H2,1-2H3
InChIKeyLRMNNEGIONUHMT-UHFFFAOYSA-N
XLogP1.82
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-cyclopropyl-2-(2-methoxy-5-methylphenyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-(2-methoxy-5-methylphenyl)-1-(oxan-4-yl)propan-1-ol
CID 65185434
3-amino-2-(2-methoxy-5-methylphenyl)-1-(2-methylcyclopropyl)propan-1-ol
CID 65185382
3-amino-1-(4-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-ol
CID 65185329
3-amino-1-cyclopentyl-2-(2-methoxyphenyl)propan-1-ol
CID 65190124
3-amino-2-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)propan-1-ol
CID 65189959
1-cyclohexyl-2-(2-methoxy-5-methylphenyl)ethane-1,2-diol
CID 103459031
2-cyclopropyl-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83155175
4-amino-3-(5-chloro-2-methoxyphenyl)-1-cyclopropylbutan-2-ol
CID 65189958
1-cyclopropyl-2-(2-methoxy-4-methylphenoxy)ethanol
CID 63907448
3-amino-1-(5-ethylthiophen-2-yl)-2-(2-methoxy-5-methylphenyl)propan-1-ol
CID 65185380
2-(2-methoxy-4-methylphenyl)-3-methylbutan-1-amine
CID 82395562
1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine
CID 116933048

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclopropyl-2-(2-methoxy-5-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-cyclopropyl-2-(2-methoxy-5-methylphenyl)propan-1-ol (CID 65185180) is 3-amino-1-cyclopropyl-2-(2-methoxy-5-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-cyclopropyl-2-(2-methoxy-5-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-cyclopropyl-2-(2-methoxy-5-methylphenyl)propan-1-ol is COc1ccc(C)cc1C(CN)C(O)C1CC1.
What is the InChIKey of 3-amino-1-cyclopropyl-2-(2-methoxy-5-methylphenyl)propan-1-ol?
The InChIKey is LRMNNEGIONUHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-3-6-13(17-2)11(7-9)12(8-15)14(16)10-4-5-10/h3,6-7,10,12,14,16H,4-5,8,15H2,1-2H3.
What are the key properties of 3-amino-1-cyclopropyl-2-(2-methoxy-5-methylphenyl)propan-1-ol?
3-amino-1-cyclopropyl-2-(2-methoxy-5-methylphenyl)propan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclopropyl-2-(2-methoxy-5-methylphenyl)propan-1-ol is sourced from PubChem (CID 65185180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).