1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-chlorophenyl)methyl]methanamine

C16H15Cl2NO — CID 66391607

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-chlorophenyl)methyl]methanamine
SMILESClc1ccc(CNCC2Cc3cc(Cl)ccc3O2)cc1
InChIInChI=1S/C16H15Cl2NO/c17-13-3-1-11(2-4-13)9-19-10-15-8-12-7-14(18)5-6-16(12)20-15/h1-7,15,19H,8-10H2
InChIKeyOJPALIXYNZYGRB-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.09
Rot. Bonds4

About 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-chlorophenyl)methyl]methanamine

1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-chlorophenyl)methyl]methanamine (PubChem CID 66391607) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-chlorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-chlorophenyl)methyl]methanamine
PubChem CID66391607
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-chlorophenyl)methyl]methanamine
SMILESClc1ccc(CNCC2Cc3cc(Cl)ccc3O2)cc1
InChIInChI=1S/C16H15Cl2NO/c17-13-3-1-11(2-4-13)9-19-10-15-8-12-7-14(18)5-6-16(12)20-15/h1-7,15,19H,8-10H2
InChIKeyOJPALIXYNZYGRB-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 66394141
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine
CID 66393777
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 106398513
1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-ethylphenyl)methyl]methanamine
CID 106899706
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylsulfanylpropan-1-amine
CID 113466476
4-[[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381124
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
3-[[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]pentan-3-ol
CID 66393011
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-3-ylethanamine
CID 66391231
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107418275
[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 40566108
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 66394124

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-chlorophenyl)methyl]methanamine?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-chlorophenyl)methyl]methanamine (CID 66391607) is 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-chlorophenyl)methyl]methanamine.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-chlorophenyl)methyl]methanamine?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-chlorophenyl)methyl]methanamine is Clc1ccc(CNCC2Cc3cc(Cl)ccc3O2)cc1.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-chlorophenyl)methyl]methanamine?
The InChIKey is OJPALIXYNZYGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c17-13-3-1-11(2-4-13)9-19-10-15-8-12-7-14(18)5-6-16(12)20-15/h1-7,15,19H,8-10H2.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-chlorophenyl)methyl]methanamine?
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-chlorophenyl)methyl]methanamine has a molecular weight of 308.21 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-chlorophenyl)methyl]methanamine is sourced from PubChem (CID 66391607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).