2-chloro-4-(3-methylphenoxy)aniline

C13H12ClNO — CID 106701509

IUPAC2-chloro-4-(3-methylphenoxy)aniline
SMILESCc1cccc(Oc2ccc(N)c(Cl)c2)c1
InChIInChI=1S/C13H12ClNO/c1-9-3-2-4-10(7-9)16-11-5-6-13(15)12(14)8-11/h2-8H,15H2,1H3
InChIKeyNPFYJTSFSPWRPE-UHFFFAOYSA-N
MW233.70 g/mol
LogP4.02
Rot. Bonds2

About 2-chloro-4-(3-methylphenoxy)aniline

2-chloro-4-(3-methylphenoxy)aniline (PubChem CID 106701509) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-chloro-4-(3-methylphenoxy)aniline.

Molecular Properties

Compound Name2-chloro-4-(3-methylphenoxy)aniline
PubChem CID106701509
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name2-chloro-4-(3-methylphenoxy)aniline
SMILESCc1cccc(Oc2ccc(N)c(Cl)c2)c1
InChIInChI=1S/C13H12ClNO/c1-9-3-2-4-10(7-9)16-11-5-6-13(15)12(14)8-11/h2-8H,15H2,1H3
InChIKeyNPFYJTSFSPWRPE-UHFFFAOYSA-N
XLogP4.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3-methylphenoxy)benzene-1,2-diamine
CID 10488820
2,4-bis(3-methylphenoxy)aniline
CID 34173748
2-chloro-4-[(6-methyl-2-pyridinyl)oxy]aniline
CID 62113791
1-chloro-4-(3-methylphenoxy)benzene;yttrium
CID 159299201
1-chloro-2-fluoro-4-(3-methylphenoxy)benzene
CID 91481927
4-methyl-2-(3-methylphenoxy)aniline
CID 26189584
2-chloro-4-naphthalen-2-yloxyaniline
CID 175197159
4-(3-methylphenoxy)-2-propan-2-yloxyaniline
CID 83001982
1-chloro-3-(3-methylphenoxy)benzene;ethane
CID 153343625
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
3-(4-amino-3-chlorophenoxy)-N,N-dimethylbenzamide
CID 118138252
5-chloro-4-fluoro-2-(3-methylphenoxy)aniline
CID 66077893

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-methylphenoxy)aniline?
The IUPAC name of 2-chloro-4-(3-methylphenoxy)aniline (CID 106701509) is 2-chloro-4-(3-methylphenoxy)aniline.
What is the SMILES notation for 2-chloro-4-(3-methylphenoxy)aniline?
The canonical SMILES for 2-chloro-4-(3-methylphenoxy)aniline is Cc1cccc(Oc2ccc(N)c(Cl)c2)c1.
What is the InChIKey of 2-chloro-4-(3-methylphenoxy)aniline?
The InChIKey is NPFYJTSFSPWRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-9-3-2-4-10(7-9)16-11-5-6-13(15)12(14)8-11/h2-8H,15H2,1H3.
What are the key properties of 2-chloro-4-(3-methylphenoxy)aniline?
2-chloro-4-(3-methylphenoxy)aniline has a molecular weight of 233.70 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-methylphenoxy)aniline is sourced from PubChem (CID 106701509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).