4-(2-amino-6-chloroanilino)butan-2-ol

C10H15ClN2O — CID 64927863

IUPAC4-(2-amino-6-chloroanilino)butan-2-ol
SMILESCC(O)CCNc1c(N)cccc1Cl
InChIInChI=1S/C10H15ClN2O/c1-7(14)5-6-13-10-8(11)3-2-4-9(10)12/h2-4,7,13-14H,5-6,12H2,1H3
InChIKeyGFCGJCYIQRJNIX-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.11
Rot. Bonds4

About 4-(2-amino-6-chloroanilino)butan-2-ol

4-(2-amino-6-chloroanilino)butan-2-ol (PubChem CID 64927863) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 4-(2-amino-6-chloroanilino)butan-2-ol.

Molecular Properties

Compound Name4-(2-amino-6-chloroanilino)butan-2-ol
PubChem CID64927863
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name4-(2-amino-6-chloroanilino)butan-2-ol
SMILESCC(O)CCNc1c(N)cccc1Cl
InChIInChI=1S/C10H15ClN2O/c1-7(14)5-6-13-10-8(11)3-2-4-9(10)12/h2-4,7,13-14H,5-6,12H2,1H3
InChIKeyGFCGJCYIQRJNIX-UHFFFAOYSA-N
XLogP2.11
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine
CID 83142997
4-(3-amino-2-methylanilino)butan-2-ol
CID 64928447
2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64912476
3-chloro-2-N-[2-(2-methylprop-2-enoxy)ethyl]benzene-1,2-diamine
CID 114465166
(2S)-4-[(2,6-dichlorophenyl)methylamino]butan-2-ol
CID 96500104
3-chloro-2-N-(2,2-difluoroethyl)benzene-1,2-diamine
CID 115405373
tert-butyl N-[2-(2-amino-6-chloroanilino)ethyl]carbamate
CID 114518019
3-chloro-2-N-(2-ethyl-2-methylsulfanylbutyl)benzene-1,2-diamine
CID 114115572
3-chloro-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine
CID 29066258
(2S)-4-[(3-amino-2-pyridinyl)amino]butan-2-ol
CID 86323908
3-(2-amino-6-chloroanilino)-2-methylpropane-1,2-diol
CID 66169895
3-(2-amino-6-chloroanilino)-4,4-dimethylpentan-1-ol
CID 114176714

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-chloroanilino)butan-2-ol?
The IUPAC name of 4-(2-amino-6-chloroanilino)butan-2-ol (CID 64927863) is 4-(2-amino-6-chloroanilino)butan-2-ol.
What is the SMILES notation for 4-(2-amino-6-chloroanilino)butan-2-ol?
The canonical SMILES for 4-(2-amino-6-chloroanilino)butan-2-ol is CC(O)CCNc1c(N)cccc1Cl.
What is the InChIKey of 4-(2-amino-6-chloroanilino)butan-2-ol?
The InChIKey is GFCGJCYIQRJNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-7(14)5-6-13-10-8(11)3-2-4-9(10)12/h2-4,7,13-14H,5-6,12H2,1H3.
What are the key properties of 4-(2-amino-6-chloroanilino)butan-2-ol?
4-(2-amino-6-chloroanilino)butan-2-ol has a molecular weight of 214.70 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-chloroanilino)butan-2-ol is sourced from PubChem (CID 64927863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).