2-chloro-3-methoxy-N-(3-methoxypropyl)propan-1-amine

C8H18ClNO2 — CID 65023754

IUPAC2-chloro-3-methoxy-N-(3-methoxypropyl)propan-1-amine
SMILESCOCCCNCC(Cl)COC
InChIInChI=1S/C8H18ClNO2/c1-11-5-3-4-10-6-8(9)7-12-2/h8,10H,3-7H2,1-2H3
InChIKeyQIWLCNRBUAMBKG-UHFFFAOYSA-N
MW195.69 g/mol
LogP0.87
Rot. Bonds8

About 2-chloro-3-methoxy-N-(3-methoxypropyl)propan-1-amine

2-chloro-3-methoxy-N-(3-methoxypropyl)propan-1-amine (PubChem CID 65023754) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is 2-chloro-3-methoxy-N-(3-methoxypropyl)propan-1-amine.

Molecular Properties

Compound Name2-chloro-3-methoxy-N-(3-methoxypropyl)propan-1-amine
PubChem CID65023754
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Name2-chloro-3-methoxy-N-(3-methoxypropyl)propan-1-amine
SMILESCOCCCNCC(Cl)COC
InChIInChI=1S/C8H18ClNO2/c1-11-5-3-4-10-6-8(9)7-12-2/h8,10H,3-7H2,1-2H3
InChIKeyQIWLCNRBUAMBKG-UHFFFAOYSA-N
XLogP0.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-3-methoxy-N-(3-methoxypropyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-methoxy-N-(3-methoxypropyl)butan-1-amine
CID 106242334
2-chloro-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 65024338
N-(2-chloro-3-methoxypropyl)-2-methylpropan-1-amine
CID 65023756
N-(3-methoxypropyl)-2-(2-methylpropylsulfanyl)propan-1-amine
CID 62577772
N-(3-methoxypropyl)-2-methylsulfanylpropan-1-amine
CID 62581365
7-methoxy-N-(2-methylpropyl)heptan-1-amine
CID 104650031
(E)-N-(2-chloro-3-methoxypropyl)but-2-en-1-amine
CID 107897694
N-(3-methoxypropyl)-2-propan-2-ylsulfonylpropan-1-amine
CID 106513164
methyl 2-chloro-3-[3-(2-methoxyethoxy)propylamino]propanoate
CID 103491945
ethane;N-ethylformamide;N-(3-methoxypropyl)-2-methylpropan-1-amine
CID 163400199
2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine
CID 104567209
N-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-2-methylpropan-1-amine
CID 104560835

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methoxy-N-(3-methoxypropyl)propan-1-amine?
The IUPAC name of 2-chloro-3-methoxy-N-(3-methoxypropyl)propan-1-amine (CID 65023754) is 2-chloro-3-methoxy-N-(3-methoxypropyl)propan-1-amine.
What is the SMILES notation for 2-chloro-3-methoxy-N-(3-methoxypropyl)propan-1-amine?
The canonical SMILES for 2-chloro-3-methoxy-N-(3-methoxypropyl)propan-1-amine is COCCCNCC(Cl)COC.
What is the InChIKey of 2-chloro-3-methoxy-N-(3-methoxypropyl)propan-1-amine?
The InChIKey is QIWLCNRBUAMBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO2/c1-11-5-3-4-10-6-8(9)7-12-2/h8,10H,3-7H2,1-2H3.
What are the key properties of 2-chloro-3-methoxy-N-(3-methoxypropyl)propan-1-amine?
2-chloro-3-methoxy-N-(3-methoxypropyl)propan-1-amine has a molecular weight of 195.69 g/mol, XLogP of 0.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methoxy-N-(3-methoxypropyl)propan-1-amine is sourced from PubChem (CID 65023754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).