1-(2-amino-3-chloro-N-methylanilino)propan-2-ol

C10H15ClN2O — CID 104834446

IUPAC1-(2-amino-3-chloro-N-methylanilino)propan-2-ol
SMILESCC(O)CN(C)c1cccc(Cl)c1N
InChIInChI=1S/C10H15ClN2O/c1-7(14)6-13(2)9-5-3-4-8(11)10(9)12/h3-5,7,14H,6,12H2,1-2H3
InChIKeyRCYDGZDAKGDHNG-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.74
Rot. Bonds3

About 1-(2-amino-3-chloro-N-methylanilino)propan-2-ol

1-(2-amino-3-chloro-N-methylanilino)propan-2-ol (PubChem CID 104834446) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 1-(2-amino-3-chloro-N-methylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(2-amino-3-chloro-N-methylanilino)propan-2-ol
PubChem CID104834446
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name1-(2-amino-3-chloro-N-methylanilino)propan-2-ol
SMILESCC(O)CN(C)c1cccc(Cl)c1N
InChIInChI=1S/C10H15ClN2O/c1-7(14)6-13(2)9-5-3-4-8(11)10(9)12/h3-5,7,14H,6,12H2,1-2H3
InChIKeyRCYDGZDAKGDHNG-UHFFFAOYSA-N
XLogP1.74
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.74
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

3-chloro-1-N-methyl-1-N-(2-phenylethyl)benzene-1,2-diamine
CID 113458658
3-chloro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine
CID 104834240
1-(2-bromo-N-methylanilino)propan-2-ol
CID 82117993
3-chloro-1-N-[(3-chlorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 104834227
1-[2-[(1S)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 63368989
1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 78935252
3-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 104834154
3-chloro-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine
CID 104834148
1-N-benzyl-3-chloro-1-N-propan-2-ylbenzene-1,2-diamine
CID 104833916
3-chloro-1-N-methyl-1-N-(1-methylsulfanylbutan-2-yl)benzene-1,2-diamine
CID 104834825
3-chloro-1-N-cyclohexyl-1-N-methylbenzene-1,2-diamine
CID 104833893
1-[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]propan-2-ol
CID 102757866

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-chloro-N-methylanilino)propan-2-ol?
The IUPAC name of 1-(2-amino-3-chloro-N-methylanilino)propan-2-ol (CID 104834446) is 1-(2-amino-3-chloro-N-methylanilino)propan-2-ol.
What is the SMILES notation for 1-(2-amino-3-chloro-N-methylanilino)propan-2-ol?
The canonical SMILES for 1-(2-amino-3-chloro-N-methylanilino)propan-2-ol is CC(O)CN(C)c1cccc(Cl)c1N.
What is the InChIKey of 1-(2-amino-3-chloro-N-methylanilino)propan-2-ol?
The InChIKey is RCYDGZDAKGDHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-7(14)6-13(2)9-5-3-4-8(11)10(9)12/h3-5,7,14H,6,12H2,1-2H3.
What are the key properties of 1-(2-amino-3-chloro-N-methylanilino)propan-2-ol?
1-(2-amino-3-chloro-N-methylanilino)propan-2-ol has a molecular weight of 214.70 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-chloro-N-methylanilino)propan-2-ol is sourced from PubChem (CID 104834446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).