N-[(2-chlorophenyl)methyl]dibenzofuran-2-amine

C19H14ClNO — CID 23521797

IUPACN-[(2-chlorophenyl)methyl]dibenzofuran-2-amine
SMILESClc1ccccc1CNc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C19H14ClNO/c20-17-7-3-1-5-13(17)12-21-14-9-10-19-16(11-14)15-6-2-4-8-18(15)22-19/h1-11,21H,12H2
InChIKeyMCCMAPGZRTWLIE-UHFFFAOYSA-N
MW307.78 g/mol
LogP5.85
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]dibenzofuran-2-amine

N-[(2-chlorophenyl)methyl]dibenzofuran-2-amine (PubChem CID 23521797) has the molecular formula C19H14ClNO and a molecular weight of 307.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]dibenzofuran-2-amine
PubChem CID23521797
Molecular FormulaC19H14ClNO
Molecular Weight307.78 g/mol
Exact Mass307.08
IUPAC NameN-[(2-chlorophenyl)methyl]dibenzofuran-2-amine
SMILESClc1ccccc1CNc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C19H14ClNO/c20-17-7-3-1-5-13(17)12-21-14-9-10-19-16(11-14)15-6-2-4-8-18(15)22-19/h1-11,21H,12H2
InChIKeyMCCMAPGZRTWLIE-UHFFFAOYSA-N
XLogP5.85
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.78
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dimethylphenyl)methyl]dibenzofuran-2-amine
CID 22664248
8-chloro-N-[(2-methylphenyl)methyl]dibenzofuran-2-amine
CID 22663982
N-[(2-fluorophenyl)methyl]dibenzofuran-3-amine
CID 2972003
N-[(4-propan-2-ylphenyl)methyl]dibenzofuran-2-amine
CID 142075806
N-[(1-methylpyrrol-2-yl)methyl]dibenzofuran-2-amine
CID 28876961
N-[(2-chlorophenyl)methyl]-2-cyclopropyl-1,3-benzoxazol-5-amine
CID 43686403
N-[(1-methyltriazol-4-yl)methyl]dibenzofuran-2-amine
CID 62757748
2-[(2,3-dichlorophenyl)methyl]dibenzofuran
CID 167572111
N-[(2-chlorophenyl)methyl]-4-iodoaniline
CID 28878735
4-[(2-chlorophenyl)methylamino]phenol
CID 18778398
N-[(2-chlorophenyl)methyl]-3-ethyl-4-methylaniline
CID 114250155
N-[(2-chlorophenyl)methyl]quinoxalin-6-amine
CID 54863546

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]dibenzofuran-2-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]dibenzofuran-2-amine (CID 23521797) is N-[(2-chlorophenyl)methyl]dibenzofuran-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]dibenzofuran-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]dibenzofuran-2-amine is Clc1ccccc1CNc1ccc2oc3ccccc3c2c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]dibenzofuran-2-amine?
The InChIKey is MCCMAPGZRTWLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO/c20-17-7-3-1-5-13(17)12-21-14-9-10-19-16(11-14)15-6-2-4-8-18(15)22-19/h1-11,21H,12H2.
What are the key properties of N-[(2-chlorophenyl)methyl]dibenzofuran-2-amine?
N-[(2-chlorophenyl)methyl]dibenzofuran-2-amine has a molecular weight of 307.78 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]dibenzofuran-2-amine is sourced from PubChem (CID 23521797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).