4-(2-amino-3-chloroanilino)butan-1-ol

C10H15ClN2O — CID 106840311

IUPAC4-(2-amino-3-chloroanilino)butan-1-ol
SMILESNc1c(Cl)cccc1NCCCCO
InChIInChI=1S/C10H15ClN2O/c11-8-4-3-5-9(10(8)12)13-6-1-2-7-14/h3-5,13-14H,1-2,6-7,12H2
InChIKeyDLFFGNVVBXBELK-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.11
Rot. Bonds5

About 4-(2-amino-3-chloroanilino)butan-1-ol

4-(2-amino-3-chloroanilino)butan-1-ol (PubChem CID 106840311) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 4-(2-amino-3-chloroanilino)butan-1-ol.

Molecular Properties

Compound Name4-(2-amino-3-chloroanilino)butan-1-ol
PubChem CID106840311
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name4-(2-amino-3-chloroanilino)butan-1-ol
SMILESNc1c(Cl)cccc1NCCCCO
InChIInChI=1S/C10H15ClN2O/c11-8-4-3-5-9(10(8)12)13-6-1-2-7-14/h3-5,13-14H,1-2,6-7,12H2
InChIKeyDLFFGNVVBXBELK-UHFFFAOYSA-N
XLogP2.11
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-amino-3-chloroanilino)pentanamide
CID 106234126
3-chloro-1-N-hexylbenzene-1,2-diamine
CID 104834589
3-chloro-1-N-decylbenzene-1,2-diamine
CID 104834723
3-chloro-1-N-(5,5,5-trifluoropentyl)benzene-1,2-diamine
CID 104834782
3-chloro-1-N-(3-methylsulfanylpropyl)benzene-1,2-diamine
CID 104834578
5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol
CID 165350008
5-(3-chloro-2-ethoxyanilino)pentan-1-ol
CID 111770370
4-(2-amino-4,5-dichloroanilino)butan-1-ol
CID 101197853
3-(4-hydroxybutylamino)benzene-1,2-diol
CID 54456176
1-(2-amino-3-chloroanilino)-2-methylpropan-2-ol
CID 104834636
2-(2-amino-3-chloroanilino)acetic acid
CID 104834433
5-(2-amino-3-propoxyanilino)pentan-1-ol
CID 107316474

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-chloroanilino)butan-1-ol?
The IUPAC name of 4-(2-amino-3-chloroanilino)butan-1-ol (CID 106840311) is 4-(2-amino-3-chloroanilino)butan-1-ol.
What is the SMILES notation for 4-(2-amino-3-chloroanilino)butan-1-ol?
The canonical SMILES for 4-(2-amino-3-chloroanilino)butan-1-ol is Nc1c(Cl)cccc1NCCCCO.
What is the InChIKey of 4-(2-amino-3-chloroanilino)butan-1-ol?
The InChIKey is DLFFGNVVBXBELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c11-8-4-3-5-9(10(8)12)13-6-1-2-7-14/h3-5,13-14H,1-2,6-7,12H2.
What are the key properties of 4-(2-amino-3-chloroanilino)butan-1-ol?
4-(2-amino-3-chloroanilino)butan-1-ol has a molecular weight of 214.70 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-chloroanilino)butan-1-ol is sourced from PubChem (CID 106840311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).