[3-chloro-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]phenyl]methanol

C15H25ClN2O — CID 81151916

IUPAC[3-chloro-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]phenyl]methanol
SMILESCC(C)CN(CCN(C)C)c1ccc(CO)cc1Cl
InChIInChI=1S/C15H25ClN2O/c1-12(2)10-18(8-7-17(3)4)15-6-5-13(11-19)9-14(15)16/h5-6,9,12,19H,7-8,10-11H2,1-4H3
InChIKeyUMXGPEWQKAVXQL-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.86
Rot. Bonds7

About [3-chloro-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]phenyl]methanol

[3-chloro-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]phenyl]methanol (PubChem CID 81151916) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is [3-chloro-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]phenyl]methanol
PubChem CID81151916
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name[3-chloro-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]phenyl]methanol
SMILESCC(C)CN(CCN(C)C)c1ccc(CO)cc1Cl
InChIInChI=1S/C15H25ClN2O/c1-12(2)10-18(8-7-17(3)4)15-6-5-13(11-19)9-14(15)16/h5-6,9,12,19H,7-8,10-11H2,1-4H3
InChIKeyUMXGPEWQKAVXQL-UHFFFAOYSA-N
XLogP2.86
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]phenyl]methanol?
The IUPAC name of [3-chloro-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]phenyl]methanol (CID 81151916) is [3-chloro-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]phenyl]methanol.
What is the SMILES notation for [3-chloro-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]phenyl]methanol?
The canonical SMILES for [3-chloro-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]phenyl]methanol is CC(C)CN(CCN(C)C)c1ccc(CO)cc1Cl.
What is the InChIKey of [3-chloro-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]phenyl]methanol?
The InChIKey is UMXGPEWQKAVXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-12(2)10-18(8-7-17(3)4)15-6-5-13(11-19)9-14(15)16/h5-6,9,12,19H,7-8,10-11H2,1-4H3.
What are the key properties of [3-chloro-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]phenyl]methanol?
[3-chloro-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]phenyl]methanol has a molecular weight of 284.83 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]phenyl]methanol is sourced from PubChem (CID 81151916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).