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

C16H18ClNO — CID 105094671

IUPAC2-(3-chlorophenoxy)-1-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1C(N)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C16H18ClNO/c1-11-6-3-4-9-15(11)16(18)12(2)19-14-8-5-7-13(17)10-14/h3-10,12,16H,18H2,1-2H3
InChIKeyAWRUZLIYOTZLLR-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.12
Rot. Bonds4

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

2-(3-chlorophenoxy)-1-(2-methylphenyl)propan-1-amine (PubChem CID 105094671) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(2-methylphenyl)propan-1-amine
PubChem CID105094671
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-(3-chlorophenoxy)-1-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1C(N)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C16H18ClNO/c1-11-6-3-4-9-15(11)16(18)12(2)19-14-8-5-7-13(17)10-14/h3-10,12,16H,18H2,1-2H3
InChIKeyAWRUZLIYOTZLLR-UHFFFAOYSA-N
XLogP4.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-(3-chlorophenoxy)-1-(2-methoxyphenyl)propan-1-amine
CID 105093487
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-(2,4,5-trimethylphenyl)propan-1-ol
CID 105103501
2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine
CID 102648801
[2-(3-chlorophenoxy)-1-(2-methoxyphenyl)propyl]hydrazine
CID 105285682
2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 105110798
1-(3,5-dichlorophenoxy)-1-(2-methylphenyl)propan-2-amine
CID 63461961

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(2-methylphenyl)propan-1-amine?
The IUPAC name of 2-(3-chlorophenoxy)-1-(2-methylphenyl)propan-1-amine (CID 105094671) is 2-(3-chlorophenoxy)-1-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(2-methylphenyl)propan-1-amine is Cc1ccccc1C(N)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(2-methylphenyl)propan-1-amine?
The InChIKey is AWRUZLIYOTZLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11-6-3-4-9-15(11)16(18)12(2)19-14-8-5-7-13(17)10-14/h3-10,12,16H,18H2,1-2H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(2-methylphenyl)propan-1-amine?
2-(3-chlorophenoxy)-1-(2-methylphenyl)propan-1-amine has a molecular weight of 275.78 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 105094671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).