1-(2-amino-3-chloroanilino)-2-methylpropan-2-ol

C10H15ClN2O — CID 104834636

IUPAC1-(2-amino-3-chloroanilino)-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1cccc(Cl)c1N
InChIInChI=1S/C10H15ClN2O/c1-10(2,14)6-13-8-5-3-4-7(11)9(8)12/h3-5,13-14H,6,12H2,1-2H3
InChIKeyROGZCOXGXGQIAL-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.11
Rot. Bonds3

About 1-(2-amino-3-chloroanilino)-2-methylpropan-2-ol

1-(2-amino-3-chloroanilino)-2-methylpropan-2-ol (PubChem CID 104834636) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 1-(2-amino-3-chloroanilino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2-amino-3-chloroanilino)-2-methylpropan-2-ol
PubChem CID104834636
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name1-(2-amino-3-chloroanilino)-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1cccc(Cl)c1N
InChIInChI=1S/C10H15ClN2O/c1-10(2,14)6-13-8-5-3-4-7(11)9(8)12/h3-5,13-14H,6,12H2,1-2H3
InChIKeyROGZCOXGXGQIAL-UHFFFAOYSA-N
XLogP2.11
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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-1-N-(2,2-dimethylpropyl)benzene-1,2-diamine
CID 104834204
1-(2-amino-3-chloroanilino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141808
3-chloro-1-N-(2-ethyl-2-methylsulfanylbutyl)benzene-1,2-diamine
CID 114115597
1-N-tert-butyl-3-chlorobenzene-1,2-diamine
CID 68721117
3-chloro-1-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine
CID 104834817
2-(2-amino-3-chloroanilino)acetic acid
CID 104834433
4-(2-amino-3-chloroanilino)butan-1-ol
CID 106840311
3-chloro-1-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine
CID 104834390
3-chloro-1-N-hexylbenzene-1,2-diamine
CID 104834589
3-chloro-1-N-decylbenzene-1,2-diamine
CID 104834723
2-methyl-1-(naphthalen-1-ylamino)propan-2-ol
CID 60884850
3-chloro-1-N-(3-methylsulfanylpropyl)benzene-1,2-diamine
CID 104834578

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-chloroanilino)-2-methylpropan-2-ol?
The IUPAC name of 1-(2-amino-3-chloroanilino)-2-methylpropan-2-ol (CID 104834636) is 1-(2-amino-3-chloroanilino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2-amino-3-chloroanilino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2-amino-3-chloroanilino)-2-methylpropan-2-ol is CC(C)(O)CNc1cccc(Cl)c1N.
What is the InChIKey of 1-(2-amino-3-chloroanilino)-2-methylpropan-2-ol?
The InChIKey is ROGZCOXGXGQIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-10(2,14)6-13-8-5-3-4-7(11)9(8)12/h3-5,13-14H,6,12H2,1-2H3.
What are the key properties of 1-(2-amino-3-chloroanilino)-2-methylpropan-2-ol?
1-(2-amino-3-chloroanilino)-2-methylpropan-2-ol has a molecular weight of 214.70 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-chloroanilino)-2-methylpropan-2-ol is sourced from PubChem (CID 104834636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).