N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylaniline

C16H16ClNO — CID 66393539

IUPACN-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylaniline
SMILESCc1ccccc1NCC1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C16H16ClNO/c1-11-4-2-3-5-15(11)18-10-14-9-12-8-13(17)6-7-16(12)19-14/h2-8,14,18H,9-10H2,1H3
InChIKeyZYKPMTXJCZWWIV-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.06
Rot. Bonds3

About N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylaniline

N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylaniline (PubChem CID 66393539) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylaniline.

Molecular Properties

Compound NameN-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylaniline
PubChem CID66393539
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC NameN-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylaniline
SMILESCc1ccccc1NCC1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C16H16ClNO/c1-11-4-2-3-5-15(11)18-10-14-9-12-8-13(17)6-7-16(12)19-14/h2-8,14,18H,9-10H2,1H3
InChIKeyZYKPMTXJCZWWIV-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methoxy-2-methylaniline
CID 66391442
2-bromo-N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-methylaniline
CID 82756944
4-chloro-N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-iodoaniline
CID 107635356
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dimethylaniline
CID 66391403
2-iodo-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]aniline
CID 66361533
(1S)-N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenylethanamine
CID 66392619
4-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,2-diamine
CID 62233370
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylsulfanylaniline
CID 66391204
2-chloro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]aniline
CID 66364478
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-propan-2-ylaniline
CID 66392968
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-fluoroaniline
CID 66392577
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine
CID 66394858

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylaniline?
The IUPAC name of N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylaniline (CID 66393539) is N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylaniline.
What is the SMILES notation for N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylaniline?
The canonical SMILES for N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylaniline is Cc1ccccc1NCC1Cc2cc(Cl)ccc2O1.
What is the InChIKey of N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylaniline?
The InChIKey is ZYKPMTXJCZWWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-11-4-2-3-5-15(11)18-10-14-9-12-8-13(17)6-7-16(12)19-14/h2-8,14,18H,9-10H2,1H3.
What are the key properties of N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylaniline?
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylaniline has a molecular weight of 273.76 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylaniline is sourced from PubChem (CID 66393539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).