1-[4-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanol

C14H21NO — CID 63866230

IUPAC1-[4-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanol
SMILESCC(O)c1ccc(N(C)CC2CC2C)cc1
InChIInChI=1S/C14H21NO/c1-10-8-13(10)9-15(3)14-6-4-12(5-7-14)11(2)16/h4-7,10-11,13,16H,8-9H2,1-3H3
InChIKeyZWTVFAVYWYZMSC-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.83
Rot. Bonds4

About 1-[4-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanol

1-[4-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanol (PubChem CID 63866230) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[4-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanol
PubChem CID63866230
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[4-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanol
SMILESCC(O)c1ccc(N(C)CC2CC2C)cc1
InChIInChI=1S/C14H21NO/c1-10-8-13(10)9-15(3)14-6-4-12(5-7-14)11(2)16/h4-7,10-11,13,16H,8-9H2,1-3H3
InChIKeyZWTVFAVYWYZMSC-UHFFFAOYSA-N
XLogP2.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-[4-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanol?
The IUPAC name of 1-[4-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanol (CID 63866230) is 1-[4-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanol.
What is the SMILES notation for 1-[4-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanol?
The canonical SMILES for 1-[4-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanol is CC(O)c1ccc(N(C)CC2CC2C)cc1.
What is the InChIKey of 1-[4-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanol?
The InChIKey is ZWTVFAVYWYZMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-8-13(10)9-15(3)14-6-4-12(5-7-14)11(2)16/h4-7,10-11,13,16H,8-9H2,1-3H3.
What are the key properties of 1-[4-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanol?
1-[4-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanol has a molecular weight of 219.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanol is sourced from PubChem (CID 63866230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).