N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylcyclohexyl]methyl]cyclopropanamine

C19H27NO — CID 114747647

IUPACN-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
SMILESCC1CCC(CNC2CC2)C(c2cccc3c2OCC3)C1
InChIInChI=1S/C19H27NO/c1-13-5-6-15(12-20-16-7-8-16)18(11-13)17-4-2-3-14-9-10-21-19(14)17/h2-4,13,15-16,18,20H,5-12H2,1H3
InChIKeyQLBDWMBJJAPYSS-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.89
Rot. Bonds4

About N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylcyclohexyl]methyl]cyclopropanamine

N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylcyclohexyl]methyl]cyclopropanamine (PubChem CID 114747647) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylcyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
PubChem CID114747647
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
SMILESCC1CCC(CNC2CC2)C(c2cccc3c2OCC3)C1
InChIInChI=1S/C19H27NO/c1-13-5-6-15(12-20-16-7-8-16)18(11-13)17-4-2-3-14-9-10-21-19(14)17/h2-4,13,15-16,18,20H,5-12H2,1H3
InChIKeyQLBDWMBJJAPYSS-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methyl]cyclopropanamine
CID 114747628
N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-ethylcyclohexyl]methyl]ethanamine
CID 114747650
N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81034431
7-[2-(2-methylpropyl)cyclopropyl]-2,3-dihydro-1-benzofuran
CID 177208812
3-(2,3-dihydro-1-benzofuran-7-yl)-N,2-dimethylcyclopentan-1-amine
CID 114746981
N-[[2-(furan-3-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031757
2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpiperidine
CID 114746819
N-[[2-(3-bromofuran-2-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81032438
2,3-dihydro-1-benzofuran-7-yl-(3-methylcyclohexyl)methanamine
CID 114745190
(2R)-2-(2,3-dihydro-1-benzofuran-7-yl)azetidine
CID 130680225
3-(2,3-dihydro-1-benzofuran-7-yl)-5-methylpiperidine
CID 106781652
7-(2-bromocycloheptyl)-2,3-dihydro-1-benzofuran
CID 114746748

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylcyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylcyclohexyl]methyl]cyclopropanamine (CID 114747647) is N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylcyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylcyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylcyclohexyl]methyl]cyclopropanamine is CC1CCC(CNC2CC2)C(c2cccc3c2OCC3)C1.
What is the InChIKey of N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylcyclohexyl]methyl]cyclopropanamine?
The InChIKey is QLBDWMBJJAPYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-13-5-6-15(12-20-16-7-8-16)18(11-13)17-4-2-3-14-9-10-21-19(14)17/h2-4,13,15-16,18,20H,5-12H2,1H3.
What are the key properties of N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylcyclohexyl]methyl]cyclopropanamine?
N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylcyclohexyl]methyl]cyclopropanamine has a molecular weight of 285.43 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylcyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 114747647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).