4-benzhydryloxy-3-methylaniline

C20H19NO — CID 67820870

IUPAC4-benzhydryloxy-3-methylaniline
SMILESCc1cc(N)ccc1OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19NO/c1-15-14-18(21)12-13-19(15)22-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,20H,21H2,1H3
InChIKeyGSVYIELUSZNRBF-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.75
Rot. Bonds4

About 4-benzhydryloxy-3-methylaniline

4-benzhydryloxy-3-methylaniline (PubChem CID 67820870) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-benzhydryloxy-3-methylaniline.

Molecular Properties

Compound Name4-benzhydryloxy-3-methylaniline
PubChem CID67820870
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name4-benzhydryloxy-3-methylaniline
SMILESCc1cc(N)ccc1OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19NO/c1-15-14-18(21)12-13-19(15)22-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,20H,21H2,1H3
InChIKeyGSVYIELUSZNRBF-UHFFFAOYSA-N
XLogP4.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.75
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

5-amino-2-benzhydryloxy-N-tert-butylbenzamide
CID 23019199
4-[(2,4-diaminophenoxy)-phenylmethoxy]benzene-1,3-diamine
CID 141165191
3-methyl-4-pentan-2-yloxyaniline
CID 102980374
4-(2,2-diphenylethenoxy)-3-methylaniline
CID 67943582
2-(4-amino-2-methylphenyl)-2-phenylacetonitrile
CID 134112838
3-methyl-4-pyridin-2-yloxyaniline
CID 69194589
4-[4-amino-2-(1-phenylethyl)phenyl]-3-methylaniline
CID 89362936
3-methyl-4-(1-phenylethylsulfinyl)aniline
CID 81192599
3-methyl-4-[2-(trifluoromethyl)phenoxy]aniline
CID 18616432
3,4-dibenzhydryloxybenzaldehyde
CID 10766747
(3R)-3-(4-iodo-2-methylphenoxy)-3-phenylpropan-1-amine
CID 14950285
1-(4-benzhydryloxy-3-hydroxyphenyl)ethanone
CID 10781818

Frequently Asked Questions

What is the IUPAC name of 4-benzhydryloxy-3-methylaniline?
The IUPAC name of 4-benzhydryloxy-3-methylaniline (CID 67820870) is 4-benzhydryloxy-3-methylaniline.
What is the SMILES notation for 4-benzhydryloxy-3-methylaniline?
The canonical SMILES for 4-benzhydryloxy-3-methylaniline is Cc1cc(N)ccc1OC(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-benzhydryloxy-3-methylaniline?
The InChIKey is GSVYIELUSZNRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-15-14-18(21)12-13-19(15)22-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,20H,21H2,1H3.
What are the key properties of 4-benzhydryloxy-3-methylaniline?
4-benzhydryloxy-3-methylaniline has a molecular weight of 289.38 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryloxy-3-methylaniline is sourced from PubChem (CID 67820870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).