2-chloro-4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenol

C14H23ClN2O — CID 113247970

IUPAC2-chloro-4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenol
SMILESCCCN(CC)CCNCc1ccc(O)c(Cl)c1
InChIInChI=1S/C14H23ClN2O/c1-3-8-17(4-2)9-7-16-11-12-5-6-14(18)13(15)10-12/h5-6,10,16,18H,3-4,7-9,11H2,1-2H3
InChIKeyDGKUCWNMMUXGJO-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.87
Rot. Bonds8

About 2-chloro-4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenol

2-chloro-4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenol (PubChem CID 113247970) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 2-chloro-4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenol
PubChem CID113247970
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name2-chloro-4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenol
SMILESCCCN(CC)CCNCc1ccc(O)c(Cl)c1
InChIInChI=1S/C14H23ClN2O/c1-3-8-17(4-2)9-7-16-11-12-5-6-14(18)13(15)10-12/h5-6,10,16,18H,3-4,7-9,11H2,1-2H3
InChIKeyDGKUCWNMMUXGJO-UHFFFAOYSA-N
XLogP2.87
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-[ethyl(propyl)amino]ethylamino]methyl]-2-methoxyphenol
CID 103953654
N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 4719880
N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17294365
(3-chloro-4-hydroxyphenyl)-[2-[4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenyl]pyrrolidin-1-yl]methanone
CID 143664711
N',N'-dibutyl-N-[(3,4-dichlorophenyl)methyl]ethane-1,2-diamine
CID 135305476
N-[(3-bromo-4-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 83235269
N-benzyl-N'-ethyl-N'-propylethane-1,2-diamine
CID 62573632
2-[(3-chloro-4-hydroxyphenyl)methylamino]acetonitrile
CID 130620315
4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide
CID 103720708
N-[(2,3-dichlorophenyl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 114132479
2-chloro-N-ethyl-N-propyl-4-(propylaminomethyl)aniline
CID 81148770
N'-ethyl-N-(furan-3-ylmethyl)-N'-propylethane-1,2-diamine
CID 62575992

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenol?
The IUPAC name of 2-chloro-4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenol (CID 113247970) is 2-chloro-4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenol.
What is the SMILES notation for 2-chloro-4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenol?
The canonical SMILES for 2-chloro-4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenol is CCCN(CC)CCNCc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenol?
The InChIKey is DGKUCWNMMUXGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-3-8-17(4-2)9-7-16-11-12-5-6-14(18)13(15)10-12/h5-6,10,16,18H,3-4,7-9,11H2,1-2H3.
What are the key properties of 2-chloro-4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenol?
2-chloro-4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenol has a molecular weight of 270.80 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenol is sourced from PubChem (CID 113247970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).