2-(4-amino-5-chloro-2-methyl-N-propylanilino)ethanol

C12H19ClN2O — CID 115554676

IUPAC2-(4-amino-5-chloro-2-methyl-N-propylanilino)ethanol
SMILESCCCN(CCO)c1cc(Cl)c(N)cc1C
InChIInChI=1S/C12H19ClN2O/c1-3-4-15(5-6-16)12-8-10(13)11(14)7-9(12)2/h7-8,16H,3-6,14H2,1-2H3
InChIKeyWSLOCVOSKFXDSR-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.44
Rot. Bonds5

About 2-(4-amino-5-chloro-2-methyl-N-propylanilino)ethanol

2-(4-amino-5-chloro-2-methyl-N-propylanilino)ethanol (PubChem CID 115554676) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 2-(4-amino-5-chloro-2-methyl-N-propylanilino)ethanol.

Molecular Properties

Compound Name2-(4-amino-5-chloro-2-methyl-N-propylanilino)ethanol
PubChem CID115554676
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name2-(4-amino-5-chloro-2-methyl-N-propylanilino)ethanol
SMILESCCCN(CCO)c1cc(Cl)c(N)cc1C
InChIInChI=1S/C12H19ClN2O/c1-3-4-15(5-6-16)12-8-10(13)11(14)7-9(12)2/h7-8,16H,3-6,14H2,1-2H3
InChIKeyWSLOCVOSKFXDSR-UHFFFAOYSA-N
XLogP2.44
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-methyl-4-N,4-N-dipropylbenzene-1,4-diamine
CID 115554375
2-chloro-4-N-[2-(dimethylamino)ethyl]-5-methyl-4-N-propylbenzene-1,4-diamine
CID 113334302
2-chloro-4-N-cyclopropyl-5-methyl-4-N-propylbenzene-1,4-diamine
CID 115554545
2-(4-amino-2,6-dichloro-N-propylanilino)ethanol
CID 106890073
2-chloro-4-N,4-N-bis(cyclopropylmethyl)-5-methylbenzene-1,4-diamine
CID 115554998
2-(2-amino-4-bromo-N-propylanilino)ethanol
CID 61424928
4-[2-hydroxyethyl(propyl)amino]-3-methylbenzaldehyde
CID 62121260
2-(2-amino-N-butyl-4-fluoro-5-methylanilino)ethanol
CID 103590086
(1S)-1-[3-chloro-4-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
CID 55184297
2-[2-amino-4-(difluoromethyl)-N-propylanilino]ethanol
CID 112737492
2-[2-amino-4-chloro-5-fluoro-N-(2-hydroxyethyl)anilino]ethanol
CID 66079554
2-(4-amino-5-chloro-N,2-dimethylanilino)acetamide
CID 115554562

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-chloro-2-methyl-N-propylanilino)ethanol?
The IUPAC name of 2-(4-amino-5-chloro-2-methyl-N-propylanilino)ethanol (CID 115554676) is 2-(4-amino-5-chloro-2-methyl-N-propylanilino)ethanol.
What is the SMILES notation for 2-(4-amino-5-chloro-2-methyl-N-propylanilino)ethanol?
The canonical SMILES for 2-(4-amino-5-chloro-2-methyl-N-propylanilino)ethanol is CCCN(CCO)c1cc(Cl)c(N)cc1C.
What is the InChIKey of 2-(4-amino-5-chloro-2-methyl-N-propylanilino)ethanol?
The InChIKey is WSLOCVOSKFXDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-3-4-15(5-6-16)12-8-10(13)11(14)7-9(12)2/h7-8,16H,3-6,14H2,1-2H3.
What are the key properties of 2-(4-amino-5-chloro-2-methyl-N-propylanilino)ethanol?
2-(4-amino-5-chloro-2-methyl-N-propylanilino)ethanol has a molecular weight of 242.75 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-chloro-2-methyl-N-propylanilino)ethanol is sourced from PubChem (CID 115554676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).