2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]ethanol

C13H21ClN2O — CID 114848634

IUPAC2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]ethanol
SMILESCCCNCc1cc(Cl)ccc1N(C)CCO
InChIInChI=1S/C13H21ClN2O/c1-3-6-15-10-11-9-12(14)4-5-13(11)16(2)7-8-17/h4-5,9,15,17H,3,6-8,10H2,1-2H3
InChIKeySPUFWFCXZKWOHM-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.27
Rot. Bonds7

About 2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]ethanol

2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]ethanol (PubChem CID 114848634) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]ethanol
PubChem CID114848634
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]ethanol
SMILESCCCNCc1cc(Cl)ccc1N(C)CCO
InChIInChI=1S/C13H21ClN2O/c1-3-6-15-10-11-9-12(14)4-5-13(11)16(2)7-8-17/h4-5,9,15,17H,3,6-8,10H2,1-2H3
InChIKeySPUFWFCXZKWOHM-UHFFFAOYSA-N
XLogP2.27
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.27
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-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline
CID 114848022
2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]-N,N-dimethylacetamide
CID 114848185
4-chloro-N-(2,2-difluoroethyl)-N-methyl-2-(propylaminomethyl)aniline
CID 114853665
4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylaminomethyl)aniline
CID 114851509
N'-[5-chloro-2-(propylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 114851389
N-butyl-4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 114847405
N'-[4-chloro-2-(propylaminomethyl)phenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995199
3-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]-N,2-dimethylpropanamide
CID 106916871
4-chloro-N-methyl-N-(2-methylbutan-2-yl)-2-(propylaminomethyl)aniline
CID 114851544
2-[2-fluoro-N-methyl-4-(propylaminomethyl)anilino]ethanol
CID 54879383
4-chloro-N-(2-ethoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 114852817
4-chloro-N-cyclohexyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847451

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]ethanol?
The IUPAC name of 2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]ethanol (CID 114848634) is 2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]ethanol.
What is the SMILES notation for 2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]ethanol?
The canonical SMILES for 2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]ethanol is CCCNCc1cc(Cl)ccc1N(C)CCO.
What is the InChIKey of 2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]ethanol?
The InChIKey is SPUFWFCXZKWOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-3-6-15-10-11-9-12(14)4-5-13(11)16(2)7-8-17/h4-5,9,15,17H,3,6-8,10H2,1-2H3.
What are the key properties of 2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]ethanol?
2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]ethanol has a molecular weight of 256.78 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]ethanol is sourced from PubChem (CID 114848634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).