N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine

C17H25NO — CID 79226192

IUPACN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine
SMILESCC1CCCCC1CNCC1COc2ccccc21
InChIInChI=1S/C17H25NO/c1-13-6-2-3-7-14(13)10-18-11-15-12-19-17-9-5-4-8-16(15)17/h4-5,8-9,13-15,18H,2-3,6-7,10-12H2,1H3
InChIKeyACKDFFHCQBVNTC-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.58
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine (PubChem CID 79226192) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine
PubChem CID79226192
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine
SMILESCC1CCCCC1CNCC1COc2ccccc21
InChIInChI=1S/C17H25NO/c1-13-6-2-3-7-14(13)10-18-11-15-12-19-17-9-5-4-8-16(15)17/h4-5,8-9,13-15,18H,2-3,6-7,10-12H2,1H3
InChIKeyACKDFFHCQBVNTC-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]cyclopentyl]methanol
CID 79227078
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(thian-2-yl)methanamine
CID 80600514
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine
CID 79226749
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanamine
CID 79218793
(1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 81395215
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
CID 79226581
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 79226973
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
CID 79226752
3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-2-methylpropane-1,2-diol
CID 79226361
3-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-3-amine
CID 79229605
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405504
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine
CID 79227145

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine (CID 79226192) is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine is CC1CCCCC1CNCC1COc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine?
The InChIKey is ACKDFFHCQBVNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13-6-2-3-7-14(13)10-18-11-15-12-19-17-9-5-4-8-16(15)17/h4-5,8-9,13-15,18H,2-3,6-7,10-12H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine?
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine has a molecular weight of 259.39 g/mol, XLogP of 3.58, 4 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-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine is sourced from PubChem (CID 79226192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).