N-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine

C15H13Cl2NO — CID 43732600

IUPACN-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
SMILESClc1cccc(CNc2ccc3c(c2)CCO3)c1Cl
InChIInChI=1S/C15H13Cl2NO/c16-13-3-1-2-11(15(13)17)9-18-12-4-5-14-10(8-12)6-7-19-14/h1-5,8,18H,6-7,9H2
InChIKeyIWKHBIRTUZJZAT-UHFFFAOYSA-N
MW294.18 g/mol
LogP4.54
Rot. Bonds3

About N-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine

N-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 43732600) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
PubChem CID43732600
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
SMILESClc1cccc(CNc2ccc3c(c2)CCO3)c1Cl
InChIInChI=1S/C15H13Cl2NO/c16-13-3-1-2-11(15(13)17)9-18-12-4-5-14-10(8-12)6-7-19-14/h1-5,8,18H,6-7,9H2
InChIKeyIWKHBIRTUZJZAT-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732597
N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115762404
N-[(4-chloro-2-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 104854209
2,3-dichloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline
CID 43804211
2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 107307473
2,3-dichloro-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide
CID 38558640
N-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115695848
N-[(2,3-dichlorophenyl)methyl]-2,2-difluoro-1,3-benzodioxol-5-amine
CID 29031116
N-[(3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43426553
N-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43426557
N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732659
N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115526259

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine (CID 43732600) is N-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine is Clc1cccc(CNc2ccc3c(c2)CCO3)c1Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is IWKHBIRTUZJZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO/c16-13-3-1-2-11(15(13)17)9-18-12-4-5-14-10(8-12)6-7-19-14/h1-5,8,18H,6-7,9H2.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
N-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 294.18 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 43732600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).