1-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine

C15H16ClNO — CID 117242744

IUPAC1-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
SMILESCc1ccc(OCC(N)c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H16ClNO/c1-11-5-7-14(8-6-11)18-10-15(17)12-3-2-4-13(16)9-12/h2-9,15H,10,17H2,1H3
InChIKeyNYWPTDMOKFDERF-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.73
Rot. Bonds4

About 1-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine

1-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine (PubChem CID 117242744) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
PubChem CID117242744
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name1-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
SMILESCc1ccc(OCC(N)c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H16ClNO/c1-11-5-7-14(8-6-11)18-10-15(17)12-3-2-4-13(16)9-12/h2-9,15H,10,17H2,1H3
InChIKeyNYWPTDMOKFDERF-UHFFFAOYSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-3-(4-methylphenoxy)propan-1-amine
CID 117243107
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 82027704
3-[1-amino-2-(3-chlorophenoxy)ethyl]phenol
CID 117242718
1-(3-chlorophenyl)-1-(4-methylphenoxy)propan-2-amine
CID 55019897
2-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 55019896
2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 105144621
2-(4-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 107130057
4-[1-amino-2-(4-methylphenoxy)ethyl]phenol
CID 117244673
1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine
CID 105164447
1-(4-ethylphenyl)-2-(4-methylphenoxy)ethanamine
CID 43105094
1-(4-tert-butylphenyl)-2-(4-methylphenoxy)ethanamine
CID 43106889
3-[2-amino-2-(4-methylphenyl)ethoxy]phenol
CID 117244597

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine (CID 117242744) is 1-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine is Cc1ccc(OCC(N)c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine?
The InChIKey is NYWPTDMOKFDERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11-5-7-14(8-6-11)18-10-15(17)12-3-2-4-13(16)9-12/h2-9,15H,10,17H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine?
1-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine has a molecular weight of 261.75 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine is sourced from PubChem (CID 117242744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).