1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-amine

C16H18ClNO — CID 105099504

IUPAC1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-amine
SMILESCc1cccc(OCCC(N)c2ccccc2Cl)c1
InChIInChI=1S/C16H18ClNO/c1-12-5-4-6-13(11-12)19-10-9-16(18)14-7-2-3-8-15(14)17/h2-8,11,16H,9-10,18H2,1H3
InChIKeyWXZAFELCFVDEMC-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.12
Rot. Bonds5

About 1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-amine

1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-amine (PubChem CID 105099504) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-amine
PubChem CID105099504
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-amine
SMILESCc1cccc(OCCC(N)c2ccccc2Cl)c1
InChIInChI=1S/C16H18ClNO/c1-12-5-4-6-13(11-12)19-10-9-16(18)14-7-2-3-8-15(14)17/h2-8,11,16H,9-10,18H2,1H3
InChIKeyWXZAFELCFVDEMC-UHFFFAOYSA-N
XLogP4.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-4-(3-methylphenoxy)butanoic acid
CID 82136581
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propan-1-amine
CID 105143129
1-(3-fluoro-4-pyridinyl)-3-(3-methylphenoxy)propan-1-amine
CID 105181868
4-ethyl-1-(3-methylphenoxy)hexan-3-amine
CID 105168458
4-methyl-1-(3-methylphenoxy)hexan-3-amine
CID 105170434
2-(2-chlorophenyl)-3-(3-methylphenoxy)propanoic acid
CID 117244362
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-one
CID 105081455
[3-(3-methylphenoxy)-1-phenylpropyl]hydrazine
CID 105283017
1-(3-iodopropoxy)-3-methylbenzene
CID 64788353

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-amine (CID 105099504) is 1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-amine is Cc1cccc(OCCC(N)c2ccccc2Cl)c1.
What is the InChIKey of 1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-amine?
The InChIKey is WXZAFELCFVDEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-12-5-4-6-13(11-12)19-10-9-16(18)14-7-2-3-8-15(14)17/h2-8,11,16H,9-10,18H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-amine?
1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-amine has a molecular weight of 275.78 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-amine is sourced from PubChem (CID 105099504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).