N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-methylphenyl]methyl]cyclopropanamine

C19H21NO — CID 66480253

IUPACN-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-methylphenyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)ccc1-c1ccc2c(c1)COC2
InChIInChI=1S/C19H21NO/c1-13-8-14(10-20-18-5-6-18)2-7-19(13)15-3-4-16-11-21-12-17(16)9-15/h2-4,7-9,18,20H,5-6,10-12H2,1H3
InChIKeyKSKBNCJFWZSTFS-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.94
Rot. Bonds4

About N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-methylphenyl]methyl]cyclopropanamine

N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-methylphenyl]methyl]cyclopropanamine (PubChem CID 66480253) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-methylphenyl]methyl]cyclopropanamine
PubChem CID66480253
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC NameN-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-methylphenyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)ccc1-c1ccc2c(c1)COC2
InChIInChI=1S/C19H21NO/c1-13-8-14(10-20-18-5-6-18)2-7-19(13)15-3-4-16-11-21-12-17(16)9-15/h2-4,7-9,18,20H,5-6,10-12H2,1H3
InChIKeyKSKBNCJFWZSTFS-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(3,4-dimethylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481812
N-[[4-(3-fluoro-4-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 115502482
N-[[4-(3,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 114879154
N-[[4-(3,5-difluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66479615
N-[[4-(4-fluoro-2-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481803
N-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66480229
N-[[4-(2,4-difluoro-5-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 79735800
N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-fluorophenyl]methyl]ethanamine
CID 81441574
N-[[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methyl]propan-2-amine
CID 66481639
N-[[4-(2,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481414
N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]cyclopropanamine
CID 61034448
N-[[4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methyl]cyclopropanamine
CID 81441214

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-methylphenyl]methyl]cyclopropanamine (CID 66480253) is N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-methylphenyl]methyl]cyclopropanamine is Cc1cc(CNC2CC2)ccc1-c1ccc2c(c1)COC2.
What is the InChIKey of N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-methylphenyl]methyl]cyclopropanamine?
The InChIKey is KSKBNCJFWZSTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-13-8-14(10-20-18-5-6-18)2-7-19(13)15-3-4-16-11-21-12-17(16)9-15/h2-4,7-9,18,20H,5-6,10-12H2,1H3.
What are the key properties of N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-methylphenyl]methyl]cyclopropanamine?
N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-methylphenyl]methyl]cyclopropanamine has a molecular weight of 279.38 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 66480253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).