3-(3-chlorophenoxy)-N-methylpropan-1-amine

C10H14ClNO — CID 23004751

IUPAC3-(3-chlorophenoxy)-N-methylpropan-1-amine
SMILESCNCCCOc1cccc(Cl)c1
InChIInChI=1S/C10H14ClNO/c1-12-6-3-7-13-10-5-2-4-9(11)8-10/h2,4-5,8,12H,3,6-7H2,1H3
InChIKeyUICVFSKWBRBFRF-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.33
Rot. Bonds5

About 3-(3-chlorophenoxy)-N-methylpropan-1-amine

3-(3-chlorophenoxy)-N-methylpropan-1-amine (PubChem CID 23004751) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-N-methylpropan-1-amine
PubChem CID23004751
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name3-(3-chlorophenoxy)-N-methylpropan-1-amine
SMILESCNCCCOc1cccc(Cl)c1
InChIInChI=1S/C10H14ClNO/c1-12-6-3-7-13-10-5-2-4-9(11)8-10/h2,4-5,8,12H,3,6-7H2,1H3
InChIKeyUICVFSKWBRBFRF-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.33
H-Bond Donors ≤ 51
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-(3-chlorophenoxy)-N-methylpropan-1-amine?
The IUPAC name of 3-(3-chlorophenoxy)-N-methylpropan-1-amine (CID 23004751) is 3-(3-chlorophenoxy)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(3-chlorophenoxy)-N-methylpropan-1-amine?
The canonical SMILES for 3-(3-chlorophenoxy)-N-methylpropan-1-amine is CNCCCOc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenoxy)-N-methylpropan-1-amine?
The InChIKey is UICVFSKWBRBFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-12-6-3-7-13-10-5-2-4-9(11)8-10/h2,4-5,8,12H,3,6-7H2,1H3.
What are the key properties of 3-(3-chlorophenoxy)-N-methylpropan-1-amine?
3-(3-chlorophenoxy)-N-methylpropan-1-amine has a molecular weight of 199.68 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 23004751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).