2-(3-chlorophenoxy)-1-(2-methoxyphenyl)propan-1-amine

C16H18ClNO2 — CID 105093487

IUPAC2-(3-chlorophenoxy)-1-(2-methoxyphenyl)propan-1-amine
SMILESCOc1ccccc1C(N)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C16H18ClNO2/c1-11(20-13-7-5-6-12(17)10-13)16(18)14-8-3-4-9-15(14)19-2/h3-11,16H,18H2,1-2H3
InChIKeyDBNWHPIHOFCJEG-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.82
Rot. Bonds5

About 2-(3-chlorophenoxy)-1-(2-methoxyphenyl)propan-1-amine

2-(3-chlorophenoxy)-1-(2-methoxyphenyl)propan-1-amine (PubChem CID 105093487) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(2-methoxyphenyl)propan-1-amine
PubChem CID105093487
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-(3-chlorophenoxy)-1-(2-methoxyphenyl)propan-1-amine
SMILESCOc1ccccc1C(N)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C16H18ClNO2/c1-11(20-13-7-5-6-12(17)10-13)16(18)14-8-3-4-9-15(14)19-2/h3-11,16H,18H2,1-2H3
InChIKeyDBNWHPIHOFCJEG-UHFFFAOYSA-N
XLogP3.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-1-(2-methylphenyl)propan-1-amine
CID 105094671
[2-(3-chlorophenoxy)-1-(2-methoxyphenyl)propyl]hydrazine
CID 105285682
2-(3-chlorophenoxy)-1-(4-methylphenyl)propan-1-amine
CID 105092349
2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)propan-1-amine
CID 105097009
2-(3-chlorophenoxy)-1-(3,5-difluorophenyl)propan-1-amine
CID 105142039
2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-amine
CID 105118874
4-(3-chlorophenoxy)-2,2-dimethylpentan-3-amine
CID 105146009
1-chloro-3-propan-2-yloxybenzene;hydrazine
CID 174829987
2-(3-chlorophenoxy)-1-(2-fluoro-3-methoxyphenyl)propan-1-one
CID 105123701
2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine
CID 102648801
(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 55116277
2-(3-chlorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]butanamide
CID 133262253

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(2-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-(3-chlorophenoxy)-1-(2-methoxyphenyl)propan-1-amine (CID 105093487) is 2-(3-chlorophenoxy)-1-(2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(2-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(2-methoxyphenyl)propan-1-amine is COc1ccccc1C(N)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(2-methoxyphenyl)propan-1-amine?
The InChIKey is DBNWHPIHOFCJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-11(20-13-7-5-6-12(17)10-13)16(18)14-8-3-4-9-15(14)19-2/h3-11,16H,18H2,1-2H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(2-methoxyphenyl)propan-1-amine?
2-(3-chlorophenoxy)-1-(2-methoxyphenyl)propan-1-amine has a molecular weight of 291.78 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 105093487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).