1-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine

C18H25NO — CID 114729233

IUPAC1-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
SMILESCNC(c1cc2cccc(C)c2o1)C1CCCCCC1
InChIInChI=1S/C18H25NO/c1-13-8-7-11-15-12-16(20-18(13)15)17(19-2)14-9-5-3-4-6-10-14/h7-8,11-12,14,17,19H,3-6,9-10H2,1-2H3
InChIKeyCLFLEVDSQKKKSM-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.97
Rot. Bonds3

About 1-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine

1-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 114729233) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name1-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
PubChem CID114729233
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
SMILESCNC(c1cc2cccc(C)c2o1)C1CCCCCC1
InChIInChI=1S/C18H25NO/c1-13-8-7-11-15-12-16(20-18(13)15)17(19-2)14-9-5-3-4-6-10-14/h7-8,11-12,14,17,19H,3-6,9-10H2,1-2H3
InChIKeyCLFLEVDSQKKKSM-UHFFFAOYSA-N
XLogP4.97
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(oxan-3-yl)methanamine
CID 114729155
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(3-methylcyclopentyl)methanamine
CID 114729277
2-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 105045483
1-(2,2-dimethylcyclopropyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107005057
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 114730043
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(oxan-2-yl)ethanamine
CID 114730852
[2-cyclopropyl-1-(7-methyl-1-benzofuran-2-yl)propyl]hydrazine
CID 105338377
2-cyclopropyl-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 105045508
1-(7-bromo-1-benzofuran-2-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 105156231
[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105204500
2-cyclohexylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 114729022
[(2,2-dimethylcyclopropyl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 107005862

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of 1-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine (CID 114729233) is 1-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for 1-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for 1-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine is CNC(c1cc2cccc(C)c2o1)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is CLFLEVDSQKKKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-13-8-7-11-15-12-16(20-18(13)15)17(19-2)14-9-5-3-4-6-10-14/h7-8,11-12,14,17,19H,3-6,9-10H2,1-2H3.
What are the key properties of 1-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine?
1-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 271.40 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 114729233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).