N-[[7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine

C18H17Cl2NO — CID 68966680

IUPACN-[[7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine
SMILESClc1cccc(Cl)c1-c1cccc2c1OC(CNC1CC1)C2
InChIInChI=1S/C18H17Cl2NO/c19-15-5-2-6-16(20)17(15)14-4-1-3-11-9-13(22-18(11)14)10-21-12-7-8-12/h1-6,12-13,21H,7-10H2
InChIKeyLQKMVCUUSMGUNM-UHFFFAOYSA-N
MW334.25 g/mol
LogP4.72
Rot. Bonds4

About N-[[7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine

N-[[7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine (PubChem CID 68966680) has the molecular formula C18H17Cl2NO and a molecular weight of 334.25 g/mol. Its IUPAC name is N-[[7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine
PubChem CID68966680
Molecular FormulaC18H17Cl2NO
Molecular Weight334.25 g/mol
Exact Mass333.07
IUPAC NameN-[[7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine
SMILESClc1cccc(Cl)c1-c1cccc2c1OC(CNC1CC1)C2
InChIInChI=1S/C18H17Cl2NO/c19-15-5-2-6-16(20)17(15)14-4-1-3-11-9-13(22-18(11)14)10-21-12-7-8-12/h1-6,12-13,21H,7-10H2
InChIKeyLQKMVCUUSMGUNM-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

[(2S)-7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol
CID 129394986
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825
1-[6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
CID 68966040
[(2R)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11964054
1-[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine;hydrochloride
CID 141132350
[7-(2,3-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 69112690
[(2R)-7-(2,6-dichlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129364398
benzyl N-[[7-(2,4,6-trichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamate
CID 86599163
(2R)-2-(azidomethyl)-9-(2,6-dichlorophenyl)-2,3,4,5-tetrahydro-1-benzoxepine
CID 86609129
[7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11960767
[(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383306
N-methyl-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11964052

Frequently Asked Questions

What is the IUPAC name of N-[[7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine (CID 68966680) is N-[[7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine is Clc1cccc(Cl)c1-c1cccc2c1OC(CNC1CC1)C2.
What is the InChIKey of N-[[7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine?
The InChIKey is LQKMVCUUSMGUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO/c19-15-5-2-6-16(20)17(15)14-4-1-3-11-9-13(22-18(11)14)10-21-12-7-8-12/h1-6,12-13,21H,7-10H2.
What are the key properties of N-[[7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine?
N-[[7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine has a molecular weight of 334.25 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 68966680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).