3-(2-chloro-6-methylanilino)propan-1-ol

C10H14ClNO — CID 18324834

IUPAC3-(2-chloro-6-methylanilino)propan-1-ol
SMILESCc1cccc(Cl)c1NCCCO
InChIInChI=1S/C10H14ClNO/c1-8-4-2-5-9(11)10(8)12-6-3-7-13/h2,4-5,12-13H,3,6-7H2,1H3
InChIKeyVEYGDWPKSFSGKR-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.44
Rot. Bonds4

About 3-(2-chloro-6-methylanilino)propan-1-ol

3-(2-chloro-6-methylanilino)propan-1-ol (PubChem CID 18324834) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 3-(2-chloro-6-methylanilino)propan-1-ol.

Molecular Properties

Compound Name3-(2-chloro-6-methylanilino)propan-1-ol
PubChem CID18324834
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name3-(2-chloro-6-methylanilino)propan-1-ol
SMILESCc1cccc(Cl)c1NCCCO
InChIInChI=1S/C10H14ClNO/c1-8-4-2-5-9(11)10(8)12-6-3-7-13/h2,4-5,12-13H,3,6-7H2,1H3
InChIKeyVEYGDWPKSFSGKR-UHFFFAOYSA-N
XLogP2.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-methylanilino)propan-1-ol?
The IUPAC name of 3-(2-chloro-6-methylanilino)propan-1-ol (CID 18324834) is 3-(2-chloro-6-methylanilino)propan-1-ol.
What is the SMILES notation for 3-(2-chloro-6-methylanilino)propan-1-ol?
The canonical SMILES for 3-(2-chloro-6-methylanilino)propan-1-ol is Cc1cccc(Cl)c1NCCCO.
What is the InChIKey of 3-(2-chloro-6-methylanilino)propan-1-ol?
The InChIKey is VEYGDWPKSFSGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-8-4-2-5-9(11)10(8)12-6-3-7-13/h2,4-5,12-13H,3,6-7H2,1H3.
What are the key properties of 3-(2-chloro-6-methylanilino)propan-1-ol?
3-(2-chloro-6-methylanilino)propan-1-ol has a molecular weight of 199.68 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-methylanilino)propan-1-ol is sourced from PubChem (CID 18324834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).