4-chloro-2-[(dipropylamino)methyl]phenol

C13H20ClNO — CID 82977690

IUPAC4-chloro-2-[(dipropylamino)methyl]phenol
SMILESCCCN(CCC)Cc1cc(Cl)ccc1O
InChIInChI=1S/C13H20ClNO/c1-3-7-15(8-4-2)10-11-9-12(14)5-6-13(11)16/h5-6,9,16H,3-4,7-8,10H2,1-2H3
InChIKeyCDARIFIJBDKMNW-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.67
Rot. Bonds6

About 4-chloro-2-[(dipropylamino)methyl]phenol

4-chloro-2-[(dipropylamino)methyl]phenol (PubChem CID 82977690) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 4-chloro-2-[(dipropylamino)methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(dipropylamino)methyl]phenol
PubChem CID82977690
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name4-chloro-2-[(dipropylamino)methyl]phenol
SMILESCCCN(CCC)Cc1cc(Cl)ccc1O
InChIInChI=1S/C13H20ClNO/c1-3-7-15(8-4-2)10-11-9-12(14)5-6-13(11)16/h5-6,9,16H,3-4,7-8,10H2,1-2H3
InChIKeyCDARIFIJBDKMNW-UHFFFAOYSA-N
XLogP3.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[2-(dipropylamino)ethyl]phenol
CID 10491251
N-[(2,4-dichlorophenyl)methyl]-N-propylpropan-1-amine
CID 117059460
4-chloro-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol
CID 106625458
2-[[amino(methyl)amino]methyl]-4-chlorophenol
CID 130033260
2-[[2-aminoethyl(methyl)amino]methyl]-4-chlorophenol
CID 62682725
2-[(5-chloro-2-nitrophenyl)methyl-propylamino]ethanol
CID 79421462
2-[2-amino-2-(dipropylamino)propyl]-4-chlorophenol
CID 84752588
2-(bromomethyl)-4-chlorophenol
CID 67740326
2-[(5-chloro-2-hydroxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 82986726
2,4-dichloro-6-[[2-(dimethylamino)ethyl-propylamino]methyl]phenol
CID 82978878
2-[[2-(dimethylamino)ethyl-propylamino]methyl]-4-methoxyphenol
CID 82979025
4-chloro-2-[[2-methoxyethyl(methyl)amino]methyl]phenol
CID 46840087

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(dipropylamino)methyl]phenol?
The IUPAC name of 4-chloro-2-[(dipropylamino)methyl]phenol (CID 82977690) is 4-chloro-2-[(dipropylamino)methyl]phenol.
What is the SMILES notation for 4-chloro-2-[(dipropylamino)methyl]phenol?
The canonical SMILES for 4-chloro-2-[(dipropylamino)methyl]phenol is CCCN(CCC)Cc1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[(dipropylamino)methyl]phenol?
The InChIKey is CDARIFIJBDKMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-3-7-15(8-4-2)10-11-9-12(14)5-6-13(11)16/h5-6,9,16H,3-4,7-8,10H2,1-2H3.
What are the key properties of 4-chloro-2-[(dipropylamino)methyl]phenol?
4-chloro-2-[(dipropylamino)methyl]phenol has a molecular weight of 241.76 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(dipropylamino)methyl]phenol is sourced from PubChem (CID 82977690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).