N-[1-(1-benzofuran-2-yl)ethyl]-2-chloro-4-methylaniline

C17H16ClNO — CID 43122562

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2-chloro-4-methylaniline
SMILESCc1ccc(NC(C)c2cc3ccccc3o2)c(Cl)c1
InChIInChI=1S/C17H16ClNO/c1-11-7-8-15(14(18)9-11)19-12(2)17-10-13-5-3-4-6-16(13)20-17/h3-10,12,19H,1-2H3
InChIKeyZGGPDYYFNSHWCI-UHFFFAOYSA-N
MW285.77 g/mol
LogP5.57
Rot. Bonds3

About N-[1-(1-benzofuran-2-yl)ethyl]-2-chloro-4-methylaniline

N-[1-(1-benzofuran-2-yl)ethyl]-2-chloro-4-methylaniline (PubChem CID 43122562) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2-chloro-4-methylaniline.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2-chloro-4-methylaniline
PubChem CID43122562
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2-chloro-4-methylaniline
SMILESCc1ccc(NC(C)c2cc3ccccc3o2)c(Cl)c1
InChIInChI=1S/C17H16ClNO/c1-11-7-8-15(14(18)9-11)19-12(2)17-10-13-5-3-4-6-16(13)20-17/h3-10,12,19H,1-2H3
InChIKeyZGGPDYYFNSHWCI-UHFFFAOYSA-N
XLogP5.57
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.77
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-2,4-dibromoaniline
CID 43683127
2-chloro-4-methyl-N-propan-2-ylaniline
CID 28876969
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylaniline
CID 43102235
2-bromo-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-4-methylaniline
CID 43098399
[2-[1-(1-benzofuran-2-yl)ethylamino]phenyl]methanol
CID 43743209
N-[1-(1-benzofuran-2-yl)ethyl]-2-propylaniline
CID 43687342
N-[1-benzofuran-2-yl-(2-chloro-4-methylphenyl)methyl]ethanamine
CID 106858678
4-[1-(1-benzofuran-2-yl)ethylamino]-3-fluorobenzonitrile
CID 78980854
N-[1-(1-benzofuran-2-yl)ethyl]-2,5-dimethoxyaniline
CID 43824329
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-bromo-4-methylphenyl)acetamide
CID 112801581
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
2-[1-(1-benzofuran-2-yl)ethylamino]-5-nitrobenzonitrile
CID 46827980

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-chloro-4-methylaniline?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-chloro-4-methylaniline (CID 43122562) is N-[1-(1-benzofuran-2-yl)ethyl]-2-chloro-4-methylaniline.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2-chloro-4-methylaniline?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2-chloro-4-methylaniline is Cc1ccc(NC(C)c2cc3ccccc3o2)c(Cl)c1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2-chloro-4-methylaniline?
The InChIKey is ZGGPDYYFNSHWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-11-7-8-15(14(18)9-11)19-12(2)17-10-13-5-3-4-6-16(13)20-17/h3-10,12,19H,1-2H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2-chloro-4-methylaniline?
N-[1-(1-benzofuran-2-yl)ethyl]-2-chloro-4-methylaniline has a molecular weight of 285.77 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-2-chloro-4-methylaniline is sourced from PubChem (CID 43122562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).