1-amino-1-(5-chloro-2-methylphenyl)propan-1-ol

C10H14ClNO — CID 67599120

IUPAC1-amino-1-(5-chloro-2-methylphenyl)propan-1-ol
SMILESCCC(N)(O)c1cc(Cl)ccc1C
InChIInChI=1S/C10H14ClNO/c1-3-10(12,13)9-6-8(11)5-4-7(9)2/h4-6,13H,3,12H2,1-2H3
InChIKeyGUFCCVNLDOBHSV-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.16
Rot. Bonds2

About 1-amino-1-(5-chloro-2-methylphenyl)propan-1-ol

1-amino-1-(5-chloro-2-methylphenyl)propan-1-ol (PubChem CID 67599120) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 1-amino-1-(5-chloro-2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-amino-1-(5-chloro-2-methylphenyl)propan-1-ol
PubChem CID67599120
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name1-amino-1-(5-chloro-2-methylphenyl)propan-1-ol
SMILESCCC(N)(O)c1cc(Cl)ccc1C
InChIInChI=1S/C10H14ClNO/c1-3-10(12,13)9-6-8(11)5-4-7(9)2/h4-6,13H,3,12H2,1-2H3
InChIKeyGUFCCVNLDOBHSV-UHFFFAOYSA-N
XLogP2.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(5-chloro-2-methylphenyl)propan-1-ol?
The IUPAC name of 1-amino-1-(5-chloro-2-methylphenyl)propan-1-ol (CID 67599120) is 1-amino-1-(5-chloro-2-methylphenyl)propan-1-ol.
What is the SMILES notation for 1-amino-1-(5-chloro-2-methylphenyl)propan-1-ol?
The canonical SMILES for 1-amino-1-(5-chloro-2-methylphenyl)propan-1-ol is CCC(N)(O)c1cc(Cl)ccc1C.
What is the InChIKey of 1-amino-1-(5-chloro-2-methylphenyl)propan-1-ol?
The InChIKey is GUFCCVNLDOBHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-3-10(12,13)9-6-8(11)5-4-7(9)2/h4-6,13H,3,12H2,1-2H3.
What are the key properties of 1-amino-1-(5-chloro-2-methylphenyl)propan-1-ol?
1-amino-1-(5-chloro-2-methylphenyl)propan-1-ol has a molecular weight of 199.68 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(5-chloro-2-methylphenyl)propan-1-ol is sourced from PubChem (CID 67599120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).