1-(3-chlorophenyl)-1-(4-methylphenoxy)propan-2-amine

C16H18ClNO — CID 55019897

IUPAC1-(3-chlorophenyl)-1-(4-methylphenoxy)propan-2-amine
SMILESCc1ccc(OC(c2cccc(Cl)c2)C(C)N)cc1
InChIInChI=1S/C16H18ClNO/c1-11-6-8-15(9-7-11)19-16(12(2)18)13-4-3-5-14(17)10-13/h3-10,12,16H,18H2,1-2H3
InChIKeyPOMKZZMYDWVWBH-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.12
Rot. Bonds4

About 1-(3-chlorophenyl)-1-(4-methylphenoxy)propan-2-amine

1-(3-chlorophenyl)-1-(4-methylphenoxy)propan-2-amine (PubChem CID 55019897) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-(4-methylphenoxy)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-(4-methylphenoxy)propan-2-amine
PubChem CID55019897
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-(3-chlorophenyl)-1-(4-methylphenoxy)propan-2-amine
SMILESCc1ccc(OC(c2cccc(Cl)c2)C(C)N)cc1
InChIInChI=1S/C16H18ClNO/c1-11-6-8-15(9-7-11)19-16(12(2)18)13-4-3-5-14(17)10-13/h3-10,12,16H,18H2,1-2H3
InChIKeyPOMKZZMYDWVWBH-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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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-(4-methylphenoxy)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-1-(4-methylphenoxy)propan-2-amine (CID 55019897) is 1-(3-chlorophenyl)-1-(4-methylphenoxy)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-1-(4-methylphenoxy)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-1-(4-methylphenoxy)propan-2-amine is Cc1ccc(OC(c2cccc(Cl)c2)C(C)N)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-1-(4-methylphenoxy)propan-2-amine?
The InChIKey is POMKZZMYDWVWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11-6-8-15(9-7-11)19-16(12(2)18)13-4-3-5-14(17)10-13/h3-10,12,16H,18H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-1-(4-methylphenoxy)propan-2-amine?
1-(3-chlorophenyl)-1-(4-methylphenoxy)propan-2-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 1-(3-chlorophenyl)-1-(4-methylphenoxy)propan-2-amine is sourced from PubChem (CID 55019897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).