2-[(2-chlorophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine

C14H22ClNO2 — CID 55088725

IUPAC2-[(2-chlorophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine
SMILESCOCCCNCC(C)OCc1ccccc1Cl
InChIInChI=1S/C14H22ClNO2/c1-12(10-16-8-5-9-17-2)18-11-13-6-3-4-7-14(13)15/h3-4,6-7,12,16H,5,8-11H2,1-2H3
InChIKeyOCVIMJXYELNJST-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.87
Rot. Bonds9

About 2-[(2-chlorophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine

2-[(2-chlorophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine (PubChem CID 55088725) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine
PubChem CID55088725
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name2-[(2-chlorophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine
SMILESCOCCCNCC(C)OCc1ccccc1Cl
InChIInChI=1S/C14H22ClNO2/c1-12(10-16-8-5-9-17-2)18-11-13-6-3-4-7-14(13)15/h3-4,6-7,12,16H,5,8-11H2,1-2H3
InChIKeyOCVIMJXYELNJST-UHFFFAOYSA-N
XLogP2.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-chlorophenyl)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

2-[(2-bromophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine
CID 82825663
2-(furan-2-ylmethoxy)-N-(3-methoxypropyl)propan-1-amine
CID 62564988
N-[2-[(2-chlorophenyl)methoxy]propyl]butan-2-amine
CID 62565595
4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)butan-1-amine
CID 62566151
2-(2-chlorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 66438264
1-[(2-chlorophenyl)methyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol
CID 115475001
N-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 62531246
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-methoxypropan-1-amine
CID 66532777
2-(2-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)pentan-1-amine
CID 79449341
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17208807
2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine
CID 104567209
1-(2-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide
CID 4317850

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine (CID 55088725) is 2-[(2-chlorophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine is COCCCNCC(C)OCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine?
The InChIKey is OCVIMJXYELNJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-12(10-16-8-5-9-17-2)18-11-13-6-3-4-7-14(13)15/h3-4,6-7,12,16H,5,8-11H2,1-2H3.
What are the key properties of 2-[(2-chlorophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine?
2-[(2-chlorophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine has a molecular weight of 271.79 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine is sourced from PubChem (CID 55088725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).