4-methyl-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol

C15H23NO — CID 103743423

IUPAC4-methyl-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol
SMILESCc1ccc(O)c(CNCC2(C(C)C)CC2)c1
InChIInChI=1S/C15H23NO/c1-11(2)15(6-7-15)10-16-9-13-8-12(3)4-5-14(13)17/h4-5,8,11,16-17H,6-7,9-10H2,1-3H3
InChIKeyORMLPJAPGPXBCT-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.23
Rot. Bonds5

About 4-methyl-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol

4-methyl-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol (PubChem CID 103743423) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-methyl-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol
PubChem CID103743423
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-methyl-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol
SMILESCc1ccc(O)c(CNCC2(C(C)C)CC2)c1
InChIInChI=1S/C15H23NO/c1-11(2)15(6-7-15)10-16-9-13-8-12(3)4-5-14(13)17/h4-5,8,11,16-17H,6-7,9-10H2,1-3H3
InChIKeyORMLPJAPGPXBCT-UHFFFAOYSA-N
XLogP3.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-methyl-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol 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

4-chloro-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol
CID 103743359
2-[[(1-hydroxycyclobutyl)methylamino]methyl]-4-methylphenol
CID 115625701
2-[(2-hydroxy-5-methylphenyl)methylamino]ethane-1,1-diol
CID 101326279
2-chloro-6-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol
CID 113352473
4-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenol
CID 63325666
4-methyl-2-[(3-methylbutan-2-ylamino)methyl]phenol
CID 63327011
2-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-4-methylphenol
CID 95379080
4-methyl-2-[(2-methylsulfanylethylamino)methyl]phenol
CID 63983272
2-[(2,2-diethoxyethylamino)methyl]-4-methylphenol
CID 78960001
2-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-4-methylphenol
CID 55205892
2-[(2-hydroxypentylamino)methyl]-4-methylphenol
CID 111122866
1,5-dimethyl-4-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]pyrrole-2-carbonitrile
CID 103743384

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol?
The IUPAC name of 4-methyl-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol (CID 103743423) is 4-methyl-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol.
What is the SMILES notation for 4-methyl-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol?
The canonical SMILES for 4-methyl-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol is Cc1ccc(O)c(CNCC2(C(C)C)CC2)c1.
What is the InChIKey of 4-methyl-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol?
The InChIKey is ORMLPJAPGPXBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(2)15(6-7-15)10-16-9-13-8-12(3)4-5-14(13)17/h4-5,8,11,16-17H,6-7,9-10H2,1-3H3.
What are the key properties of 4-methyl-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol?
4-methyl-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol has a molecular weight of 233.35 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol is sourced from PubChem (CID 103743423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).