4-chloro-2-[1-[2-(dimethylamino)ethyl-methylamino]ethyl]phenol

C13H21ClN2O — CID 82981354

IUPAC4-chloro-2-[1-[2-(dimethylamino)ethyl-methylamino]ethyl]phenol
SMILESCC(c1cc(Cl)ccc1O)N(C)CCN(C)C
InChIInChI=1S/C13H21ClN2O/c1-10(16(4)8-7-15(2)3)12-9-11(14)5-6-13(12)17/h5-6,9-10,17H,7-8H2,1-4H3
InChIKeyQQPLKFAQQKDNOD-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.60
Rot. Bonds5

About 4-chloro-2-[1-[2-(dimethylamino)ethyl-methylamino]ethyl]phenol

4-chloro-2-[1-[2-(dimethylamino)ethyl-methylamino]ethyl]phenol (PubChem CID 82981354) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 4-chloro-2-[1-[2-(dimethylamino)ethyl-methylamino]ethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[1-[2-(dimethylamino)ethyl-methylamino]ethyl]phenol
PubChem CID82981354
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name4-chloro-2-[1-[2-(dimethylamino)ethyl-methylamino]ethyl]phenol
SMILESCC(c1cc(Cl)ccc1O)N(C)CCN(C)C
InChIInChI=1S/C13H21ClN2O/c1-10(16(4)8-7-15(2)3)12-9-11(14)5-6-13(12)17/h5-6,9-10,17H,7-8H2,1-4H3
InChIKeyQQPLKFAQQKDNOD-UHFFFAOYSA-N
XLogP2.60
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[1-[methyl(2-methylbutyl)amino]ethyl]phenol
CID 82977822
4-chloro-2-[1-(N,3,5-trimethylanilino)ethyl]phenol
CID 82978959
4-chloro-2-[1-[ethyl(propan-2-yl)amino]ethyl]phenol
CID 82976841
3-[1-(5-chloro-2-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide
CID 105400824
5-chloro-N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methylbenzamide
CID 63700387
2-(1-aminoethyl)-4-chlorophenol;hydrochloride
CID 146014077
4-chloro-2-[1-[methyl(oxan-4-yl)amino]ethyl]phenol
CID 82977582
1-(5-chloro-2-hydroxyphenyl)-3-(dimethylamino)propan-1-one
CID 12572233
4-chloro-2-[(1S)-1-(methylamino)ethyl]phenol
CID 94343743
4-chloro-2-[1-(N-ethyl-3-methylanilino)ethyl]phenol
CID 82982643
2-[1-[3-aminopropyl(methyl)amino]ethyl]-4-methoxyphenol
CID 115318691
1-(2,5-dichlorophenyl)-3-(dimethylamino)propan-1-ol
CID 80502462

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-[2-(dimethylamino)ethyl-methylamino]ethyl]phenol?
The IUPAC name of 4-chloro-2-[1-[2-(dimethylamino)ethyl-methylamino]ethyl]phenol (CID 82981354) is 4-chloro-2-[1-[2-(dimethylamino)ethyl-methylamino]ethyl]phenol.
What is the SMILES notation for 4-chloro-2-[1-[2-(dimethylamino)ethyl-methylamino]ethyl]phenol?
The canonical SMILES for 4-chloro-2-[1-[2-(dimethylamino)ethyl-methylamino]ethyl]phenol is CC(c1cc(Cl)ccc1O)N(C)CCN(C)C.
What is the InChIKey of 4-chloro-2-[1-[2-(dimethylamino)ethyl-methylamino]ethyl]phenol?
The InChIKey is QQPLKFAQQKDNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-10(16(4)8-7-15(2)3)12-9-11(14)5-6-13(12)17/h5-6,9-10,17H,7-8H2,1-4H3.
What are the key properties of 4-chloro-2-[1-[2-(dimethylamino)ethyl-methylamino]ethyl]phenol?
4-chloro-2-[1-[2-(dimethylamino)ethyl-methylamino]ethyl]phenol has a molecular weight of 256.78 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[1-[2-(dimethylamino)ethyl-methylamino]ethyl]phenol is sourced from PubChem (CID 82981354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).