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

C14H22ClNO — CID 10491251

IUPAC4-chloro-2-[2-(dipropylamino)ethyl]phenol
SMILESCCCN(CCC)CCc1cc(Cl)ccc1O
InChIInChI=1S/C14H22ClNO/c1-3-8-16(9-4-2)10-7-12-11-13(15)5-6-14(12)17/h5-6,11,17H,3-4,7-10H2,1-2H3
InChIKeyWERWDLQQPKWQPN-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.71
Rot. Bonds7

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

4-chloro-2-[2-(dipropylamino)ethyl]phenol (PubChem CID 10491251) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 4-chloro-2-[2-(dipropylamino)ethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[2-(dipropylamino)ethyl]phenol
PubChem CID10491251
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name4-chloro-2-[2-(dipropylamino)ethyl]phenol
SMILESCCCN(CCC)CCc1cc(Cl)ccc1O
InChIInChI=1S/C14H22ClNO/c1-3-8-16(9-4-2)10-7-12-11-13(15)5-6-14(12)17/h5-6,11,17H,3-4,7-10H2,1-2H3
InChIKeyWERWDLQQPKWQPN-UHFFFAOYSA-N
XLogP3.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-[(dipropylamino)methyl]phenol
CID 82977690
2-butyl-4-chlorophenol;4-chloro-2-methylphenol
CID 69346609
2-[2-amino-2-(dipropylamino)propyl]-4-chlorophenol
CID 84752588
2-(bromomethyl)-4-chlorophenol
CID 67740326
5-[2-(dipropylamino)ethyl]-2-fluorophenol;hydrobromide
CID 14901828
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
4-chloro-2-(2-methylprop-2-enyl)phenol
CID 57370913
2-(2-aminooxyethyl)-4-chlorophenol
CID 117280923
4-chloro-2-(6-chlorohexyl)phenol
CID 139899855
N-[(2,4-dichlorophenyl)methyl]-N-propylpropan-1-amine
CID 117059460

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(dipropylamino)ethyl]phenol?
The IUPAC name of 4-chloro-2-[2-(dipropylamino)ethyl]phenol (CID 10491251) is 4-chloro-2-[2-(dipropylamino)ethyl]phenol.
What is the SMILES notation for 4-chloro-2-[2-(dipropylamino)ethyl]phenol?
The canonical SMILES for 4-chloro-2-[2-(dipropylamino)ethyl]phenol is CCCN(CCC)CCc1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[2-(dipropylamino)ethyl]phenol?
The InChIKey is WERWDLQQPKWQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-3-8-16(9-4-2)10-7-12-11-13(15)5-6-14(12)17/h5-6,11,17H,3-4,7-10H2,1-2H3.
What are the key properties of 4-chloro-2-[2-(dipropylamino)ethyl]phenol?
4-chloro-2-[2-(dipropylamino)ethyl]phenol has a molecular weight of 255.79 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(dipropylamino)ethyl]phenol is sourced from PubChem (CID 10491251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).