N-[2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methyl]propan-1-amine

C19H29NO — CID 106826940

IUPACN-[2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCO2)C1(C)CCCCC1
InChIInChI=1S/C19H29NO/c1-3-12-20-18(19(2)10-5-4-6-11-19)16-7-8-17-15(14-16)9-13-21-17/h7-8,14,18,20H,3-6,9-13H2,1-2H3
InChIKeyMUWLWHWUBHLGNV-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.63
Rot. Bonds5

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

N-[2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methyl]propan-1-amine (PubChem CID 106826940) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methyl]propan-1-amine
PubChem CID106826940
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCO2)C1(C)CCCCC1
InChIInChI=1S/C19H29NO/c1-3-12-20-18(19(2)10-5-4-6-11-19)16-7-8-17-15(14-16)9-13-21-17/h7-8,14,18,20H,3-6,9-13H2,1-2H3
InChIKeyMUWLWHWUBHLGNV-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclopropyl)methyl]propan-1-amine
CID 104542759
1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-N-propylbutan-1-amine
CID 43495473
N-[(3,4-dimethylphenyl)-(1-methylcyclohexyl)methyl]propan-1-amine
CID 106826930
2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methanol
CID 106828274
N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-difluoroethyl]propan-1-amine
CID 80605296
3-(2,3-dihydro-1-benzofuran-5-yl)-3-(propylamino)propan-1-ol
CID 65234969
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylethane-1,2-diamine
CID 62065655
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-N-propylbutan-1-amine
CID 43495458
N-[(3-bromo-4-fluorophenyl)-(1-methylcyclohexyl)methyl]propan-1-amine
CID 106827096
N-[2,3-dihydro-1-benzofuran-5-yl(pyridazin-4-yl)methyl]propan-1-amine
CID 105180168
N-[cyclopenten-1-yl(2,3-dihydro-1-benzofuran-5-yl)methyl]propan-1-amine
CID 62200506
1-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
CID 116763076

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methyl]propan-1-amine (CID 106826940) is N-[2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methyl]propan-1-amine is CCCNC(c1ccc2c(c1)CCO2)C1(C)CCCCC1.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methyl]propan-1-amine?
The InChIKey is MUWLWHWUBHLGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-3-12-20-18(19(2)10-5-4-6-11-19)16-7-8-17-15(14-16)9-13-21-17/h7-8,14,18,20H,3-6,9-13H2,1-2H3.
What are the key properties of N-[2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methyl]propan-1-amine?
N-[2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methyl]propan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 106826940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).