4-[(4-amino-3-methoxyphenyl)-diphenylmethyl]-2-methoxyaniline

C27H26N2O2 — CID 146642580

IUPAC4-[(4-amino-3-methoxyphenyl)-diphenylmethyl]-2-methoxyaniline
SMILESCOc1cc(C(c2ccccc2)(c2ccccc2)c2ccc(N)c(OC)c2)ccc1N
InChIInChI=1S/C27H26N2O2/c1-30-25-17-21(13-15-23(25)28)27(19-9-5-3-6-10-19,20-11-7-4-8-12-20)22-14-16-24(29)26(18-22)31-2/h3-18H,28-29H2,1-2H3
InChIKeyJSZUJDNKFGIJKT-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.25
Rot. Bonds6

About 4-[(4-amino-3-methoxyphenyl)-diphenylmethyl]-2-methoxyaniline

4-[(4-amino-3-methoxyphenyl)-diphenylmethyl]-2-methoxyaniline (PubChem CID 146642580) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 4-[(4-amino-3-methoxyphenyl)-diphenylmethyl]-2-methoxyaniline.

Molecular Properties

Compound Name4-[(4-amino-3-methoxyphenyl)-diphenylmethyl]-2-methoxyaniline
PubChem CID146642580
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Name4-[(4-amino-3-methoxyphenyl)-diphenylmethyl]-2-methoxyaniline
SMILESCOc1cc(C(c2ccccc2)(c2ccccc2)c2ccc(N)c(OC)c2)ccc1N
InChIInChI=1S/C27H26N2O2/c1-30-25-17-21(13-15-23(25)28)27(19-9-5-3-6-10-19,20-11-7-4-8-12-20)22-14-16-24(29)26(18-22)31-2/h3-18H,28-29H2,1-2H3
InChIKeyJSZUJDNKFGIJKT-UHFFFAOYSA-N
XLogP5.25
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-[(3,4-dimethoxyphenyl)-diphenylmethyl]-1,2-dimethoxybenzene
CID 118041037
4-[(4-amino-3-methoxy-5-methylphenyl)-phenyl-(4-phenylphenyl)methyl]-2-methoxy-6-methylaniline
CID 146643564
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene
CID 157477717
2-chloro-4-tritylaniline
CID 3502862
4-(4-tert-butylphenoxy)-2-methoxyaniline
CID 63675564
2-methoxy-5-(2-phenylpropan-2-yl)aniline;hydrochloride
CID 2757944
(4-amino-3-methoxyphenyl)-phenylmethanol
CID 67532906
4-[4-[1,1-bis[4-(4-amino-3-methoxyphenoxy)phenyl]ethyl]phenoxy]-2-methoxyaniline
CID 66649899
2-[(3-methoxyphenyl)-diphenylmethyl]naphthalene
CID 54231735
4-amino-3-methoxybenzoic acid;ethane
CID 91282219
2-methoxyaniline;dihydrochloride
CID 69020746
5-methoxy-4-(2-phenylpropan-2-yl)benzene-1,3-diamine
CID 19849945

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-methoxyphenyl)-diphenylmethyl]-2-methoxyaniline?
The IUPAC name of 4-[(4-amino-3-methoxyphenyl)-diphenylmethyl]-2-methoxyaniline (CID 146642580) is 4-[(4-amino-3-methoxyphenyl)-diphenylmethyl]-2-methoxyaniline.
What is the SMILES notation for 4-[(4-amino-3-methoxyphenyl)-diphenylmethyl]-2-methoxyaniline?
The canonical SMILES for 4-[(4-amino-3-methoxyphenyl)-diphenylmethyl]-2-methoxyaniline is COc1cc(C(c2ccccc2)(c2ccccc2)c2ccc(N)c(OC)c2)ccc1N.
What is the InChIKey of 4-[(4-amino-3-methoxyphenyl)-diphenylmethyl]-2-methoxyaniline?
The InChIKey is JSZUJDNKFGIJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-30-25-17-21(13-15-23(25)28)27(19-9-5-3-6-10-19,20-11-7-4-8-12-20)22-14-16-24(29)26(18-22)31-2/h3-18H,28-29H2,1-2H3.
What are the key properties of 4-[(4-amino-3-methoxyphenyl)-diphenylmethyl]-2-methoxyaniline?
4-[(4-amino-3-methoxyphenyl)-diphenylmethyl]-2-methoxyaniline has a molecular weight of 410.52 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3-methoxyphenyl)-diphenylmethyl]-2-methoxyaniline is sourced from PubChem (CID 146642580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).