2-(4-amino-5-chloro-2-methylanilino)butan-1-ol

C11H17ClN2O — CID 115554567

IUPAC2-(4-amino-5-chloro-2-methylanilino)butan-1-ol
SMILESCCC(CO)Nc1cc(Cl)c(N)cc1C
InChIInChI=1S/C11H17ClN2O/c1-3-8(6-15)14-11-5-9(12)10(13)4-7(11)2/h4-5,8,14-15H,3,6,13H2,1-2H3
InChIKeyCYVVTMKJVSKBQO-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.41
Rot. Bonds4

About 2-(4-amino-5-chloro-2-methylanilino)butan-1-ol

2-(4-amino-5-chloro-2-methylanilino)butan-1-ol (PubChem CID 115554567) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 2-(4-amino-5-chloro-2-methylanilino)butan-1-ol.

Molecular Properties

Compound Name2-(4-amino-5-chloro-2-methylanilino)butan-1-ol
PubChem CID115554567
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name2-(4-amino-5-chloro-2-methylanilino)butan-1-ol
SMILESCCC(CO)Nc1cc(Cl)c(N)cc1C
InChIInChI=1S/C11H17ClN2O/c1-3-8(6-15)14-11-5-9(12)10(13)4-7(11)2/h4-5,8,14-15H,3,6,13H2,1-2H3
InChIKeyCYVVTMKJVSKBQO-UHFFFAOYSA-N
XLogP2.41
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-chloro-2-methylanilino)butan-1-ol?
The IUPAC name of 2-(4-amino-5-chloro-2-methylanilino)butan-1-ol (CID 115554567) is 2-(4-amino-5-chloro-2-methylanilino)butan-1-ol.
What is the SMILES notation for 2-(4-amino-5-chloro-2-methylanilino)butan-1-ol?
The canonical SMILES for 2-(4-amino-5-chloro-2-methylanilino)butan-1-ol is CCC(CO)Nc1cc(Cl)c(N)cc1C.
What is the InChIKey of 2-(4-amino-5-chloro-2-methylanilino)butan-1-ol?
The InChIKey is CYVVTMKJVSKBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-3-8(6-15)14-11-5-9(12)10(13)4-7(11)2/h4-5,8,14-15H,3,6,13H2,1-2H3.
What are the key properties of 2-(4-amino-5-chloro-2-methylanilino)butan-1-ol?
2-(4-amino-5-chloro-2-methylanilino)butan-1-ol has a molecular weight of 228.72 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-chloro-2-methylanilino)butan-1-ol is sourced from PubChem (CID 115554567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).