2-benzhydryl-4-ethoxyaniline

C21H21NO — CID 174855019

IUPAC2-benzhydryl-4-ethoxyaniline
SMILESCCOc1ccc(N)c(C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C21H21NO/c1-2-23-18-13-14-20(22)19(15-18)21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,21H,2,22H2,1H3
InChIKeyNVVJWXWBBBVVSD-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.85
Rot. Bonds5

About 2-benzhydryl-4-ethoxyaniline

2-benzhydryl-4-ethoxyaniline (PubChem CID 174855019) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-benzhydryl-4-ethoxyaniline.

Molecular Properties

Compound Name2-benzhydryl-4-ethoxyaniline
PubChem CID174855019
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name2-benzhydryl-4-ethoxyaniline
SMILESCCOc1ccc(N)c(C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C21H21NO/c1-2-23-18-13-14-20(22)19(15-18)21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,21H,2,22H2,1H3
InChIKeyNVVJWXWBBBVVSD-UHFFFAOYSA-N
XLogP4.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-2-(1-phenylethylsulfonyl)aniline
CID 81175040
4-methoxy-2-[phenyl(thiophen-2-yl)methyl]aniline
CID 102336988
2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline
CID 105223778
4-[(4-aminophenyl)-(4-ethoxyphenyl)methyl]aniline
CID 59136500
2-(3-ethoxyphenoxy)-1-phenylethanamine
CID 62335579
4-ethoxy-2-[(2-methoxyphenyl)methylsulfanyl]aniline
CID 79518905
4-ethoxy-2-(3-methylbut-2-enylsulfanyl)aniline
CID 79526787
5-ethoxy-1,2,3-tris(1-phenylethyl)benzene
CID 135291226
[(2,4-diethoxyphenyl)-phenylmethyl]azanium chloride
CID 121438268
4-(5-ethoxy-2-propan-2-ylphenyl)-3-phenylpentan-1-amine
CID 57105695
1-ethoxy-4-(2-methyl-1-phenylpropyl)benzene
CID 58493580
2-ethoxynaphthalene
CID 118978197

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-4-ethoxyaniline?
The IUPAC name of 2-benzhydryl-4-ethoxyaniline (CID 174855019) is 2-benzhydryl-4-ethoxyaniline.
What is the SMILES notation for 2-benzhydryl-4-ethoxyaniline?
The canonical SMILES for 2-benzhydryl-4-ethoxyaniline is CCOc1ccc(N)c(C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-benzhydryl-4-ethoxyaniline?
The InChIKey is NVVJWXWBBBVVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-2-23-18-13-14-20(22)19(15-18)21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,21H,2,22H2,1H3.
What are the key properties of 2-benzhydryl-4-ethoxyaniline?
2-benzhydryl-4-ethoxyaniline has a molecular weight of 303.41 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-4-ethoxyaniline is sourced from PubChem (CID 174855019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).