2-[(2-cyclopropylpropan-2-ylamino)methyl]-4-methylphenol

C14H21NO — CID 103700268

IUPAC2-[(2-cyclopropylpropan-2-ylamino)methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNC(C)(C)C2CC2)c1
InChIInChI=1S/C14H21NO/c1-10-4-7-13(16)11(8-10)9-15-14(2,3)12-5-6-12/h4,7-8,12,15-16H,5-6,9H2,1-3H3
InChIKeyPXVMKAORUXSQQL-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.98
Rot. Bonds4

About 2-[(2-cyclopropylpropan-2-ylamino)methyl]-4-methylphenol

2-[(2-cyclopropylpropan-2-ylamino)methyl]-4-methylphenol (PubChem CID 103700268) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[(2-cyclopropylpropan-2-ylamino)methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(2-cyclopropylpropan-2-ylamino)methyl]-4-methylphenol
PubChem CID103700268
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[(2-cyclopropylpropan-2-ylamino)methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNC(C)(C)C2CC2)c1
InChIInChI=1S/C14H21NO/c1-10-4-7-13(16)11(8-10)9-15-14(2,3)12-5-6-12/h4,7-8,12,15-16H,5-6,9H2,1-3H3
InChIKeyPXVMKAORUXSQQL-UHFFFAOYSA-N
XLogP2.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2-cyclopropylpropan-2-ylamino)methyl]-4-methylphenol 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

2-cyclopropyl-N-[(4-methylphenyl)methyl]propan-2-amine
CID 103700096
2-[(2-cyclopentylethylamino)methyl]-4-methylphenol
CID 63324647
2-chloro-4-[(2-cyclopropylpropan-2-ylamino)methyl]phenol
CID 103700269
4-methyl-2-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol
CID 114095624
2-cyclopropyl-N-[(3,5-dimethylphenyl)methyl]propan-2-amine
CID 103700185
N-[(5-chloro-2-fluorophenyl)methyl]-2-cyclopropylpropan-2-amine
CID 103845100
2-[(2-hydroxy-5-methylphenyl)methylamino]ethane-1,1-diol
CID 101326279
2-[(4-hydroxyanilino)methyl]-4-methylphenol
CID 55205511
4-[(2-cyclopropylpropan-2-ylamino)methyl]-3-methylbenzamide
CID 114110930
4-methyl-2-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenol
CID 63324621
2-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]-4-methylphenol
CID 103708054
2-[(cyclohex-2-en-1-ylamino)methyl]-4-methylphenol
CID 115693427

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropylpropan-2-ylamino)methyl]-4-methylphenol?
The IUPAC name of 2-[(2-cyclopropylpropan-2-ylamino)methyl]-4-methylphenol (CID 103700268) is 2-[(2-cyclopropylpropan-2-ylamino)methyl]-4-methylphenol.
What is the SMILES notation for 2-[(2-cyclopropylpropan-2-ylamino)methyl]-4-methylphenol?
The canonical SMILES for 2-[(2-cyclopropylpropan-2-ylamino)methyl]-4-methylphenol is Cc1ccc(O)c(CNC(C)(C)C2CC2)c1.
What is the InChIKey of 2-[(2-cyclopropylpropan-2-ylamino)methyl]-4-methylphenol?
The InChIKey is PXVMKAORUXSQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-4-7-13(16)11(8-10)9-15-14(2,3)12-5-6-12/h4,7-8,12,15-16H,5-6,9H2,1-3H3.
What are the key properties of 2-[(2-cyclopropylpropan-2-ylamino)methyl]-4-methylphenol?
2-[(2-cyclopropylpropan-2-ylamino)methyl]-4-methylphenol has a molecular weight of 219.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropylpropan-2-ylamino)methyl]-4-methylphenol is sourced from PubChem (CID 103700268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).