N-[[2-(1-benzofuran-2-yl)-4-methylcyclohexyl]methyl]ethanamine

C18H25NO — CID 114735847

IUPACN-[[2-(1-benzofuran-2-yl)-4-methylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C)CC1c1cc2ccccc2o1
InChIInChI=1S/C18H25NO/c1-3-19-12-15-9-8-13(2)10-16(15)18-11-14-6-4-5-7-17(14)20-18/h4-7,11,13,15-16,19H,3,8-10,12H2,1-2H3
InChIKeyIGZHIUSWNZWMOV-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.56
Rot. Bonds4

About N-[[2-(1-benzofuran-2-yl)-4-methylcyclohexyl]methyl]ethanamine

N-[[2-(1-benzofuran-2-yl)-4-methylcyclohexyl]methyl]ethanamine (PubChem CID 114735847) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[[2-(1-benzofuran-2-yl)-4-methylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-benzofuran-2-yl)-4-methylcyclohexyl]methyl]ethanamine
PubChem CID114735847
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-[[2-(1-benzofuran-2-yl)-4-methylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C)CC1c1cc2ccccc2o1
InChIInChI=1S/C18H25NO/c1-3-19-12-15-9-8-13(2)10-16(15)18-11-14-6-4-5-7-17(14)20-18/h4-7,11,13,15-16,19H,3,8-10,12H2,1-2H3
InChIKeyIGZHIUSWNZWMOV-UHFFFAOYSA-N
XLogP4.56
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-(1-benzofuran-2-yl)-4-methylcyclohexyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[2-(1-benzofuran-2-yl)-4-ethylcyclohexyl]methyl]ethanamine
CID 114735863
N-[[2-(1-benzofuran-2-yl)-4,4-dimethylcyclohexyl]methyl]ethanamine
CID 114735873
1-[2-(1-benzofuran-2-yl)-4-propylcyclohexyl]-N-methylmethanamine
CID 114735864
1-[2-(5-fluoro-1-benzofuran-2-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 114735845
1-[2-(7-fluoro-1-benzofuran-2-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 114735841
3-(1-benzofuran-2-yl)-2-methylcyclopentan-1-amine
CID 114733615
N-[[4-methyl-2-(6-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine
CID 81031650
N-[[2-(3,5-dimethoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine
CID 81033287
N-[[2-(5-chloro-2-methoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine
CID 81032180
2-(1-benzofuran-2-yl)-N-propylcycloheptan-1-amine
CID 114732944
N-[(4-methyl-2-quinolin-5-ylcyclohexyl)methyl]ethanamine
CID 81228450
N-[[2-(7-methyl-1-benzofuran-2-yl)cyclopentyl]methyl]ethanamine
CID 114735736

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-benzofuran-2-yl)-4-methylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-benzofuran-2-yl)-4-methylcyclohexyl]methyl]ethanamine (CID 114735847) is N-[[2-(1-benzofuran-2-yl)-4-methylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-benzofuran-2-yl)-4-methylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-benzofuran-2-yl)-4-methylcyclohexyl]methyl]ethanamine is CCNCC1CCC(C)CC1c1cc2ccccc2o1.
What is the InChIKey of N-[[2-(1-benzofuran-2-yl)-4-methylcyclohexyl]methyl]ethanamine?
The InChIKey is IGZHIUSWNZWMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-3-19-12-15-9-8-13(2)10-16(15)18-11-14-6-4-5-7-17(14)20-18/h4-7,11,13,15-16,19H,3,8-10,12H2,1-2H3.
What are the key properties of N-[[2-(1-benzofuran-2-yl)-4-methylcyclohexyl]methyl]ethanamine?
N-[[2-(1-benzofuran-2-yl)-4-methylcyclohexyl]methyl]ethanamine has a molecular weight of 271.40 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-benzofuran-2-yl)-4-methylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 114735847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).