1-[2-(7-chloro-1-benzofuran-2-yl)-4-ethylcyclohexyl]-N-methylmethanamine

C18H24ClNO — CID 114735860

IUPAC1-[2-(7-chloro-1-benzofuran-2-yl)-4-ethylcyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)C(c2cc3cccc(Cl)c3o2)C1
InChIInChI=1S/C18H24ClNO/c1-3-12-7-8-14(11-20-2)15(9-12)17-10-13-5-4-6-16(19)18(13)21-17/h4-6,10,12,14-15,20H,3,7-9,11H2,1-2H3
InChIKeySZMZFUWJRIXFRY-UHFFFAOYSA-N
MW305.85 g/mol
LogP5.22
Rot. Bonds4

About 1-[2-(7-chloro-1-benzofuran-2-yl)-4-ethylcyclohexyl]-N-methylmethanamine

1-[2-(7-chloro-1-benzofuran-2-yl)-4-ethylcyclohexyl]-N-methylmethanamine (PubChem CID 114735860) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is 1-[2-(7-chloro-1-benzofuran-2-yl)-4-ethylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(7-chloro-1-benzofuran-2-yl)-4-ethylcyclohexyl]-N-methylmethanamine
PubChem CID114735860
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC Name1-[2-(7-chloro-1-benzofuran-2-yl)-4-ethylcyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)C(c2cc3cccc(Cl)c3o2)C1
InChIInChI=1S/C18H24ClNO/c1-3-12-7-8-14(11-20-2)15(9-12)17-10-13-5-4-6-16(19)18(13)21-17/h4-6,10,12,14-15,20H,3,7-9,11H2,1-2H3
InChIKeySZMZFUWJRIXFRY-UHFFFAOYSA-N
XLogP5.22
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.85
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-ethyl-2-(7-fluoro-1-benzofuran-2-yl)cyclohexyl]methanamine
CID 114735537
2-(7-chloro-1-benzofuran-2-yl)-4-ethylpiperidine
CID 114733072
1-[4-ethyl-2-(furan-2-yl)cyclohexyl]-N-methylmethanamine
CID 81031398
1-[2-(1-benzofuran-2-yl)-4-propylcyclohexyl]-N-methylmethanamine
CID 114735864
1-[2-(7-fluoro-1-benzofuran-2-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 114735841
N-[[2-(1-benzofuran-2-yl)-4-ethylcyclohexyl]methyl]ethanamine
CID 114735863
2-(7-chloro-1-benzofuran-2-yl)-N-ethylcycloheptan-1-amine
CID 114732942
1-[2-[(2,3-dichlorophenyl)methyl]-4-ethylcyclohexyl]-N-methylmethanamine
CID 107311092
1-[2-(4-bromo-3-chloro-2-fluorophenyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 106763857
2-(7-chloro-1-benzofuran-2-yl)-N-propylcyclohexan-1-amine
CID 114732912
1-[4-ethyl-2-(2,3,4-trifluorophenyl)cyclohexyl]-N-methylmethanamine
CID 81031996
1-[2-(3,4-difluorophenyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81031851

Frequently Asked Questions

What is the IUPAC name of 1-[2-(7-chloro-1-benzofuran-2-yl)-4-ethylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(7-chloro-1-benzofuran-2-yl)-4-ethylcyclohexyl]-N-methylmethanamine (CID 114735860) is 1-[2-(7-chloro-1-benzofuran-2-yl)-4-ethylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(7-chloro-1-benzofuran-2-yl)-4-ethylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(7-chloro-1-benzofuran-2-yl)-4-ethylcyclohexyl]-N-methylmethanamine is CCC1CCC(CNC)C(c2cc3cccc(Cl)c3o2)C1.
What is the InChIKey of 1-[2-(7-chloro-1-benzofuran-2-yl)-4-ethylcyclohexyl]-N-methylmethanamine?
The InChIKey is SZMZFUWJRIXFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO/c1-3-12-7-8-14(11-20-2)15(9-12)17-10-13-5-4-6-16(19)18(13)21-17/h4-6,10,12,14-15,20H,3,7-9,11H2,1-2H3.
What are the key properties of 1-[2-(7-chloro-1-benzofuran-2-yl)-4-ethylcyclohexyl]-N-methylmethanamine?
1-[2-(7-chloro-1-benzofuran-2-yl)-4-ethylcyclohexyl]-N-methylmethanamine has a molecular weight of 305.85 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7-chloro-1-benzofuran-2-yl)-4-ethylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 114735860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).