1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine

C19H29NO — CID 104545295

IUPAC1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C(C)C)CC1c1ccc2c(c1)CCO2
InChIInChI=1S/C19H29NO/c1-13(2)14-4-5-17(12-20-3)18(11-14)15-6-7-19-16(10-15)8-9-21-19/h6-7,10,13-14,17-18,20H,4-5,8-9,11-12H2,1-3H3
InChIKeyRTAJRLVBACOPIR-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.00
Rot. Bonds4

About 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine

1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine (PubChem CID 104545295) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
PubChem CID104545295
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C(C)C)CC1c1ccc2c(c1)CCO2
InChIInChI=1S/C19H29NO/c1-13(2)14-4-5-17(12-20-3)18(11-14)15-6-7-19-16(10-15)8-9-21-19/h6-7,10,13-14,17-18,20H,4-5,8-9,11-12H2,1-3H3
InChIKeyRTAJRLVBACOPIR-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
CID 43810363
1-[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 81029186
[2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232601
[2-(2,3-dihydro-1-benzofuran-5-yl)-4-propylcyclohexyl]methanamine
CID 104545172
2-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclopentan-1-amine
CID 104544129
4-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)piperidine
CID 79320311
3-(2,3-dihydro-1-benzofuran-5-yl)-4-(fluoromethyl)pyrrolidine
CID 121199381
2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 83154976
2-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclohexan-1-amine
CID 104544128
2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxylic acid
CID 43810297
[4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]methanol
CID 121199351
(3R,4R)-4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-amine
CID 129493232

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine (CID 104545295) is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine is CNCC1CCC(C(C)C)CC1c1ccc2c(c1)CCO2.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine?
The InChIKey is RTAJRLVBACOPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-13(2)14-4-5-17(12-20-3)18(11-14)15-6-7-19-16(10-15)8-9-21-19/h6-7,10,13-14,17-18,20H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine?
1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine has a molecular weight of 287.45 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 104545295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).