N-(4-propan-2-ylphenyl)dibenzofuran-3-amine

C21H19NO — CID 130195251

IUPACN-(4-propan-2-ylphenyl)dibenzofuran-3-amine
SMILESCC(C)c1ccc(Nc2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C21H19NO/c1-14(2)15-7-9-16(10-8-15)22-17-11-12-19-18-5-3-4-6-20(18)23-21(19)13-17/h3-14,22H,1-2H3
InChIKeyPWZGCHXSACGJDV-UHFFFAOYSA-N
MW301.39 g/mol
LogP6.45
Rot. Bonds3

About N-(4-propan-2-ylphenyl)dibenzofuran-3-amine

N-(4-propan-2-ylphenyl)dibenzofuran-3-amine (PubChem CID 130195251) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)dibenzofuran-3-amine
PubChem CID130195251
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC NameN-(4-propan-2-ylphenyl)dibenzofuran-3-amine
SMILESCC(C)c1ccc(Nc2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C21H19NO/c1-14(2)15-7-9-16(10-8-15)22-17-11-12-19-18-5-3-4-6-20(18)23-21(19)13-17/h3-14,22H,1-2H3
InChIKeyPWZGCHXSACGJDV-UHFFFAOYSA-N
XLogP6.45
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-dibenzofuran-2-yldibenzofuran-3-amine;ethane
CID 145077285
N-dibenzofuran-3-yl-2-(4-propan-2-ylphenoxy)acetamide
CID 3150701
N-[(4-propan-2-ylphenyl)methyl]dibenzofuran-2-amine
CID 142075806
N-(trifluoromethyl)dibenzofuran-3-amine
CID 176550162
1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 71359938
2-dibenzofuran-2-yl-N-methylpropanamide
CID 163614988
3,5-di(propan-2-yl)-N-(4-propan-2-ylphenyl)aniline
CID 177290097
N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 129199649
N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine
CID 169305210
(2S)-N-dibenzofuran-3-yl-2-[(2,2-diphenylacetyl)amino]propanamide
CID 126008008
cumene;N-phenylaniline
CID 22645781
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-(4-propan-2-ylphenyl)dibenzofuran-3-amine (CID 130195251) is N-(4-propan-2-ylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-(4-propan-2-ylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-(4-propan-2-ylphenyl)dibenzofuran-3-amine is CC(C)c1ccc(Nc2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)dibenzofuran-3-amine?
The InChIKey is PWZGCHXSACGJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-14(2)15-7-9-16(10-8-15)22-17-11-12-19-18-5-3-4-6-20(18)23-21(19)13-17/h3-14,22H,1-2H3.
What are the key properties of N-(4-propan-2-ylphenyl)dibenzofuran-3-amine?
N-(4-propan-2-ylphenyl)dibenzofuran-3-amine has a molecular weight of 301.39 g/mol, XLogP of 6.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 130195251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).