1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-amine

C16H18ClNO2 — CID 105178397

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-amine
SMILESNC(CCc1ccco1)Cc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C16H18ClNO2/c17-13-8-11-5-7-20-16(11)12(9-13)10-14(18)3-4-15-2-1-6-19-15/h1-2,6,8-9,14H,3-5,7,10,18H2
InChIKeyWPVIVIWTQPSCMF-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.37
Rot. Bonds5

About 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-amine

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-amine (PubChem CID 105178397) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-amine
PubChem CID105178397
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-amine
SMILESNC(CCc1ccco1)Cc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C16H18ClNO2/c17-13-8-11-5-7-20-16(11)12(9-13)10-14(18)3-4-15-2-1-6-19-15/h1-2,6,8-9,14H,3-5,7,10,18H2
InChIKeyWPVIVIWTQPSCMF-UHFFFAOYSA-N
XLogP3.37
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)octan-2-amine
CID 105031486
[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-yl]hydrazine
CID 105332479
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethylsulfanylpropan-2-amine
CID 113403571
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-cyclopentylpropan-2-amine
CID 105031505
1,4-bis(furan-2-yl)butan-2-amine
CID 105177346
3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-methyl-1-phenylpropan-1-amine
CID 104845232
5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
CID 126973912
1-(2-chloro-5-fluorophenyl)-4-(furan-2-yl)butan-2-amine
CID 102622645
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethanamine
CID 113403553
1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 105031502
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,3-dimethylphenyl)ethanamine
CID 105031528
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-chloro-3-methylphenyl)ethanamine
CID 105031480

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-amine?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-amine (CID 105178397) is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-amine is NC(CCc1ccco1)Cc1cc(Cl)cc2c1OCC2.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-amine?
The InChIKey is WPVIVIWTQPSCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c17-13-8-11-5-7-20-16(11)12(9-13)10-14(18)3-4-15-2-1-6-19-15/h1-2,6,8-9,14H,3-5,7,10,18H2.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-amine?
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-amine has a molecular weight of 291.78 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 105178397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).