5-chloro-2-methoxy-3,4,6-triphenylaniline

C25H20ClNO — CID 139791413

IUPAC5-chloro-2-methoxy-3,4,6-triphenylaniline
SMILESCOc1c(N)c(-c2ccccc2)c(Cl)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H20ClNO/c1-28-25-21(18-13-7-3-8-14-18)20(17-11-5-2-6-12-17)23(26)22(24(25)27)19-15-9-4-10-16-19/h2-16H,27H2,1H3
InChIKeyDUNRFHSMZOZZHV-UHFFFAOYSA-N
MW385.89 g/mol
LogP6.93
Rot. Bonds4

About 5-chloro-2-methoxy-3,4,6-triphenylaniline

5-chloro-2-methoxy-3,4,6-triphenylaniline (PubChem CID 139791413) has the molecular formula C25H20ClNO and a molecular weight of 385.89 g/mol. Its IUPAC name is 5-chloro-2-methoxy-3,4,6-triphenylaniline.

Molecular Properties

Compound Name5-chloro-2-methoxy-3,4,6-triphenylaniline
PubChem CID139791413
Molecular FormulaC25H20ClNO
Molecular Weight385.89 g/mol
Exact Mass385.12
IUPAC Name5-chloro-2-methoxy-3,4,6-triphenylaniline
SMILESCOc1c(N)c(-c2ccccc2)c(Cl)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H20ClNO/c1-28-25-21(18-13-7-3-8-14-18)20(17-11-5-2-6-12-17)23(26)22(24(25)27)19-15-9-4-10-16-19/h2-16H,27H2,1H3
InChIKeyDUNRFHSMZOZZHV-UHFFFAOYSA-N
XLogP6.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.89
LogP ≤ 56.93
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

3-Chloro-2,4,5-trimethyl-6-(trifluoromethoxy)aniline
CID 54008381
5-(1-Aminoethyl)-3-chloro-2-fluoro-6-methoxy-4-phenylaniline
CID 141202298
4-(4-Amino-2-chloro-5-methoxyphenyl)-5-chloro-2-methoxyaniline;4-(4-amino-3-methoxyphenyl)-2-methoxyaniline
CID 19107226
4-(4-Amino-2-chloro-5-methoxyphenyl)-5-chloro-2-methoxyaniline;4-(4-aminophenyl)-2-methoxyaniline
CID 67110202
N-[5-chloro-2-methoxy-3-(4-methoxyphenyl)-6-[(Z)-prop-1-enyl]phenyl]methanimine;propane
CID 142849641
4-Chloro-1-ethyl-6-methylidene-5,7,8,9-tetrahydrobenzo[7]annulene;4-chloro-1-methoxy-6-methylidene-5,7,8,9-tetrahydrobenzo[7]annulen-2-amine;methane
CID 145111680
7-Chloro-4-phenylmethoxyphenanthren-3-amine
CID 145261261
10-(5-Chloro-2-methoxyphenyl)phenanthren-9-amine
CID 147259194
2-[(3-Chlorophenyl)methoxy]-4,6-bis(4-naphthalen-1-ylphenyl)aniline
CID 155067674
Anthracen-9-amine;9-(5-chloro-2-methoxyphenyl)phenanthrene
CID 157719161
[3-Chloro-6-methoxy-2-(2-naphthalen-1-ylphenyl)phenyl]-oxoazanium
CID 162733429
5-Chloro-2-methoxy-3-[(2-methylphenyl)methyl]aniline
CID 178992441

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-3,4,6-triphenylaniline?
The IUPAC name of 5-chloro-2-methoxy-3,4,6-triphenylaniline (CID 139791413) is 5-chloro-2-methoxy-3,4,6-triphenylaniline.
What is the SMILES notation for 5-chloro-2-methoxy-3,4,6-triphenylaniline?
The canonical SMILES for 5-chloro-2-methoxy-3,4,6-triphenylaniline is COc1c(N)c(-c2ccccc2)c(Cl)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 5-chloro-2-methoxy-3,4,6-triphenylaniline?
The InChIKey is DUNRFHSMZOZZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClNO/c1-28-25-21(18-13-7-3-8-14-18)20(17-11-5-2-6-12-17)23(26)22(24(25)27)19-15-9-4-10-16-19/h2-16H,27H2,1H3.
What are the key properties of 5-chloro-2-methoxy-3,4,6-triphenylaniline?
5-chloro-2-methoxy-3,4,6-triphenylaniline has a molecular weight of 385.89 g/mol, XLogP of 6.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-3,4,6-triphenylaniline is sourced from PubChem (CID 139791413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).