1-[2-(1-benzofuran-2-yl)-4-propylcyclohexyl]-N-methylmethanamine

C19H27NO — CID 114735864

IUPAC1-[2-(1-benzofuran-2-yl)-4-propylcyclohexyl]-N-methylmethanamine
SMILESCCCC1CCC(CNC)C(c2cc3ccccc3o2)C1
InChIInChI=1S/C19H27NO/c1-3-6-14-9-10-16(13-20-2)17(11-14)19-12-15-7-4-5-8-18(15)21-19/h4-5,7-8,12,14,16-17,20H,3,6,9-11,13H2,1-2H3
InChIKeyXDTNLFORZVYQFU-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.95
Rot. Bonds5

About 1-[2-(1-benzofuran-2-yl)-4-propylcyclohexyl]-N-methylmethanamine

1-[2-(1-benzofuran-2-yl)-4-propylcyclohexyl]-N-methylmethanamine (PubChem CID 114735864) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-[2-(1-benzofuran-2-yl)-4-propylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1-benzofuran-2-yl)-4-propylcyclohexyl]-N-methylmethanamine
PubChem CID114735864
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name1-[2-(1-benzofuran-2-yl)-4-propylcyclohexyl]-N-methylmethanamine
SMILESCCCC1CCC(CNC)C(c2cc3ccccc3o2)C1
InChIInChI=1S/C19H27NO/c1-3-6-14-9-10-16(13-20-2)17(11-14)19-12-15-7-4-5-8-18(15)21-19/h4-5,7-8,12,14,16-17,20H,3,6,9-11,13H2,1-2H3
InChIKeyXDTNLFORZVYQFU-UHFFFAOYSA-N
XLogP4.95
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(1-benzofuran-2-yl)-4-ethylcyclohexyl]methyl]ethanamine
CID 114735863
N-[[2-(1-benzofuran-2-yl)-4-methylcyclohexyl]methyl]ethanamine
CID 114735847
1-[2-(2-fluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 81029449
1-[2-(2-methoxyphenyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 81029380
1-[2-(7-chloro-1-benzofuran-2-yl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 114735860
[2-(5-fluoro-1-benzofuran-2-yl)-4-propylcyclohexyl]methanamine
CID 114735548
1-[2-(1-benzofuran-2-yl)oxolan-3-yl]-N-methylmethanamine
CID 79367665
1-[2-(5-fluoro-1-benzofuran-2-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 114735845
1-[2-(3,5-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 81029451
1-[2-(3,4-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 81029742
1-[4-ethyl-2-(furan-2-yl)cyclohexyl]-N-methylmethanamine
CID 81031398
1-[2-(7-fluoro-1-benzofuran-2-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 114735841

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzofuran-2-yl)-4-propylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1-benzofuran-2-yl)-4-propylcyclohexyl]-N-methylmethanamine (CID 114735864) is 1-[2-(1-benzofuran-2-yl)-4-propylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1-benzofuran-2-yl)-4-propylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1-benzofuran-2-yl)-4-propylcyclohexyl]-N-methylmethanamine is CCCC1CCC(CNC)C(c2cc3ccccc3o2)C1.
What is the InChIKey of 1-[2-(1-benzofuran-2-yl)-4-propylcyclohexyl]-N-methylmethanamine?
The InChIKey is XDTNLFORZVYQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-3-6-14-9-10-16(13-20-2)17(11-14)19-12-15-7-4-5-8-18(15)21-19/h4-5,7-8,12,14,16-17,20H,3,6,9-11,13H2,1-2H3.
What are the key properties of 1-[2-(1-benzofuran-2-yl)-4-propylcyclohexyl]-N-methylmethanamine?
1-[2-(1-benzofuran-2-yl)-4-propylcyclohexyl]-N-methylmethanamine has a molecular weight of 285.43 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzofuran-2-yl)-4-propylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 114735864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).