N-[(4-propan-2-ylphenyl)methyl]dibenzofuran-2-amine

C22H21NO — CID 142075806

IUPACN-[(4-propan-2-ylphenyl)methyl]dibenzofuran-2-amine
SMILESCC(C)c1ccc(CNc2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C22H21NO/c1-15(2)17-9-7-16(8-10-17)14-23-18-11-12-22-20(13-18)19-5-3-4-6-21(19)24-22/h3-13,15,23H,14H2,1-2H3
InChIKeyCMWCDIHUJRXZNS-UHFFFAOYSA-N
MW315.42 g/mol
LogP6.32
Rot. Bonds4

About N-[(4-propan-2-ylphenyl)methyl]dibenzofuran-2-amine

N-[(4-propan-2-ylphenyl)methyl]dibenzofuran-2-amine (PubChem CID 142075806) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(4-propan-2-ylphenyl)methyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[(4-propan-2-ylphenyl)methyl]dibenzofuran-2-amine
PubChem CID142075806
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC NameN-[(4-propan-2-ylphenyl)methyl]dibenzofuran-2-amine
SMILESCC(C)c1ccc(CNc2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C22H21NO/c1-15(2)17-9-7-16(8-10-17)14-23-18-11-12-22-20(13-18)19-5-3-4-6-21(19)24-22/h3-13,15,23H,14H2,1-2H3
InChIKeyCMWCDIHUJRXZNS-UHFFFAOYSA-N
XLogP6.32
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]dibenzofuran-3-amine
CID 2966855
N-[(2-chlorophenyl)methyl]dibenzofuran-2-amine
CID 23521797
N-(4-propan-2-ylphenyl)dibenzofuran-3-amine
CID 130195251
N-[(1-methylpyrrol-2-yl)methyl]dibenzofuran-2-amine
CID 28876961
N'-dibenzofuran-2-yl-2-propan-2-ylpropane-1,3-diamine
CID 107441212
N-[(2,5-dimethylphenyl)methyl]dibenzofuran-2-amine
CID 22664248
2-(2-methylpropyl)dibenzofuran
CID 59877560
N-[(1-methyltriazol-4-yl)methyl]dibenzofuran-2-amine
CID 62757748
1-dibenzofuran-2-ylpropan-2-amine
CID 42647881
1-dibenzofuran-2-ylethanamine;hydrochloride
CID 13012128
(1S)-1-dibenzofuran-2-ylethanol
CID 82758937
2-[(1S)-1-chloroethyl]dibenzofuran
CID 129370090

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylphenyl)methyl]dibenzofuran-2-amine?
The IUPAC name of N-[(4-propan-2-ylphenyl)methyl]dibenzofuran-2-amine (CID 142075806) is N-[(4-propan-2-ylphenyl)methyl]dibenzofuran-2-amine.
What is the SMILES notation for N-[(4-propan-2-ylphenyl)methyl]dibenzofuran-2-amine?
The canonical SMILES for N-[(4-propan-2-ylphenyl)methyl]dibenzofuran-2-amine is CC(C)c1ccc(CNc2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of N-[(4-propan-2-ylphenyl)methyl]dibenzofuran-2-amine?
The InChIKey is CMWCDIHUJRXZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c1-15(2)17-9-7-16(8-10-17)14-23-18-11-12-22-20(13-18)19-5-3-4-6-21(19)24-22/h3-13,15,23H,14H2,1-2H3.
What are the key properties of N-[(4-propan-2-ylphenyl)methyl]dibenzofuran-2-amine?
N-[(4-propan-2-ylphenyl)methyl]dibenzofuran-2-amine has a molecular weight of 315.42 g/mol, XLogP of 6.32, 4 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)methyl]dibenzofuran-2-amine is sourced from PubChem (CID 142075806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).