2,4-dichloro-6-[[2-(dimethylamino)ethyl-propylamino]methyl]phenol

C14H22Cl2N2O — CID 82978878

IUPAC2,4-dichloro-6-[[2-(dimethylamino)ethyl-propylamino]methyl]phenol
SMILESCCCN(CCN(C)C)Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C14H22Cl2N2O/c1-4-5-18(7-6-17(2)3)10-11-8-12(15)9-13(16)14(11)19/h8-9,19H,4-7,10H2,1-3H3
InChIKeyUGNSIUVFNYTWOF-UHFFFAOYSA-N
MW305.25 g/mol
LogP3.47
Rot. Bonds7

About 2,4-dichloro-6-[[2-(dimethylamino)ethyl-propylamino]methyl]phenol

2,4-dichloro-6-[[2-(dimethylamino)ethyl-propylamino]methyl]phenol (PubChem CID 82978878) has the molecular formula C14H22Cl2N2O and a molecular weight of 305.25 g/mol. Its IUPAC name is 2,4-dichloro-6-[[2-(dimethylamino)ethyl-propylamino]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[2-(dimethylamino)ethyl-propylamino]methyl]phenol
PubChem CID82978878
Molecular FormulaC14H22Cl2N2O
Molecular Weight305.25 g/mol
Exact Mass304.11
IUPAC Name2,4-dichloro-6-[[2-(dimethylamino)ethyl-propylamino]methyl]phenol
SMILESCCCN(CCN(C)C)Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C14H22Cl2N2O/c1-4-5-18(7-6-17(2)3)10-11-8-12(15)9-13(16)14(11)19/h8-9,19H,4-7,10H2,1-3H3
InChIKeyUGNSIUVFNYTWOF-UHFFFAOYSA-N
XLogP3.47
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 53.47
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

2-[[bis(2-ethoxyethyl)amino]methyl]-4,6-dichlorophenol
CID 82966178
4-chloro-2-[(dipropylamino)methyl]phenol
CID 82977690
2,4-dichloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 82981653
N-[(2,4-dichlorophenyl)methyl]-N-propylpropan-1-amine
CID 117059460
2,4-dichloro-6-[[methyl(3-methylbutyl)amino]methyl]phenol
CID 82986125
4-chloro-2,6-bis[(dimethylamino)methyl]phenol;dihydrochloride
CID 131844775
2,4-dichloro-6-[[(3,5-dichloro-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate;bis(propan-2-olate);vanadium(4+)
CID 139168872
2-[(3,5-dichloro-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide
CID 82978834
2-[[2-(dimethylamino)ethyl-propylamino]methyl]-4-methoxyphenol
CID 82979025
2,4-dichloro-6-[[methyl(2-phenylethyl)amino]methyl]phenol
CID 82981087
2,4-dichloro-6-[[cyclopentyl(methyl)amino]methyl]phenol
CID 82974965
2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol
CID 82974899

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[2-(dimethylamino)ethyl-propylamino]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[2-(dimethylamino)ethyl-propylamino]methyl]phenol (CID 82978878) is 2,4-dichloro-6-[[2-(dimethylamino)ethyl-propylamino]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[2-(dimethylamino)ethyl-propylamino]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[2-(dimethylamino)ethyl-propylamino]methyl]phenol is CCCN(CCN(C)C)Cc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[[2-(dimethylamino)ethyl-propylamino]methyl]phenol?
The InChIKey is UGNSIUVFNYTWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2N2O/c1-4-5-18(7-6-17(2)3)10-11-8-12(15)9-13(16)14(11)19/h8-9,19H,4-7,10H2,1-3H3.
What are the key properties of 2,4-dichloro-6-[[2-(dimethylamino)ethyl-propylamino]methyl]phenol?
2,4-dichloro-6-[[2-(dimethylamino)ethyl-propylamino]methyl]phenol has a molecular weight of 305.25 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[2-(dimethylamino)ethyl-propylamino]methyl]phenol is sourced from PubChem (CID 82978878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).