8-chloro-N-[(2-methylphenyl)methyl]dibenzofuran-2-amine

C20H16ClNO — CID 22663982

IUPAC8-chloro-N-[(2-methylphenyl)methyl]dibenzofuran-2-amine
SMILESCc1ccccc1CNc1ccc2oc3ccc(Cl)cc3c2c1
InChIInChI=1S/C20H16ClNO/c1-13-4-2-3-5-14(13)12-22-16-7-9-20-18(11-16)17-10-15(21)6-8-19(17)23-20/h2-11,22H,12H2,1H3
InChIKeyFSSQMQUBCYUZEC-UHFFFAOYSA-N
MW321.81 g/mol
LogP6.16
Rot. Bonds3

About 8-chloro-N-[(2-methylphenyl)methyl]dibenzofuran-2-amine

8-chloro-N-[(2-methylphenyl)methyl]dibenzofuran-2-amine (PubChem CID 22663982) has the molecular formula C20H16ClNO and a molecular weight of 321.81 g/mol. Its IUPAC name is 8-chloro-N-[(2-methylphenyl)methyl]dibenzofuran-2-amine.

Molecular Properties

Compound Name8-chloro-N-[(2-methylphenyl)methyl]dibenzofuran-2-amine
PubChem CID22663982
Molecular FormulaC20H16ClNO
Molecular Weight321.81 g/mol
Exact Mass321.09
IUPAC Name8-chloro-N-[(2-methylphenyl)methyl]dibenzofuran-2-amine
SMILESCc1ccccc1CNc1ccc2oc3ccc(Cl)cc3c2c1
InChIInChI=1S/C20H16ClNO/c1-13-4-2-3-5-14(13)12-22-16-7-9-20-18(11-16)17-10-15(21)6-8-19(17)23-20/h2-11,22H,12H2,1H3
InChIKeyFSSQMQUBCYUZEC-UHFFFAOYSA-N
XLogP6.16
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.81
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(2-methylphenyl)methyl]aniline
CID 28513469
N-[(2-chlorophenyl)methyl]dibenzofuran-2-amine
CID 23521797
N-[(2,5-dimethylphenyl)methyl]dibenzofuran-2-amine
CID 22664248
1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 102345817
1-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 104853852
3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-methylaniline
CID 114075337
8-fluoro-N-[(2,3,4-trifluorophenyl)methyl]dibenzofuran-2-amine
CID 22664015
3-N,3-N,4-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-diamine
CID 115376609
N-[(2-fluorophenyl)methyl]dibenzofuran-3-amine
CID 2972003
N,2-dimethyl-5-[(2-methylphenyl)methylamino]benzenesulfonamide
CID 43717495
N-[(4-propan-2-ylphenyl)methyl]dibenzofuran-2-amine
CID 142075806
3-[(2-methylphenyl)methylamino]phenol
CID 28722272

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[(2-methylphenyl)methyl]dibenzofuran-2-amine?
The IUPAC name of 8-chloro-N-[(2-methylphenyl)methyl]dibenzofuran-2-amine (CID 22663982) is 8-chloro-N-[(2-methylphenyl)methyl]dibenzofuran-2-amine.
What is the SMILES notation for 8-chloro-N-[(2-methylphenyl)methyl]dibenzofuran-2-amine?
The canonical SMILES for 8-chloro-N-[(2-methylphenyl)methyl]dibenzofuran-2-amine is Cc1ccccc1CNc1ccc2oc3ccc(Cl)cc3c2c1.
What is the InChIKey of 8-chloro-N-[(2-methylphenyl)methyl]dibenzofuran-2-amine?
The InChIKey is FSSQMQUBCYUZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO/c1-13-4-2-3-5-14(13)12-22-16-7-9-20-18(11-16)17-10-15(21)6-8-19(17)23-20/h2-11,22H,12H2,1H3.
What are the key properties of 8-chloro-N-[(2-methylphenyl)methyl]dibenzofuran-2-amine?
8-chloro-N-[(2-methylphenyl)methyl]dibenzofuran-2-amine has a molecular weight of 321.81 g/mol, XLogP of 6.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[(2-methylphenyl)methyl]dibenzofuran-2-amine is sourced from PubChem (CID 22663982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).