N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-methylcyclohexan-1-amine

C16H20ClNO — CID 82760458

IUPACN-[(2-chloro-1-benzofuran-3-yl)methyl]-1-methylcyclohexan-1-amine
SMILESCC1(NCc2c(Cl)oc3ccccc23)CCCCC1
InChIInChI=1S/C16H20ClNO/c1-16(9-5-2-6-10-16)18-11-13-12-7-3-4-8-14(12)19-15(13)17/h3-4,7-8,18H,2,5-6,9-11H2,1H3
InChIKeyMDAHYSHHBUUOIR-UHFFFAOYSA-N
MW277.79 g/mol
LogP4.90
Rot. Bonds3

About N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-methylcyclohexan-1-amine

N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-methylcyclohexan-1-amine (PubChem CID 82760458) has the molecular formula C16H20ClNO and a molecular weight of 277.79 g/mol. Its IUPAC name is N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-1-methylcyclohexan-1-amine
PubChem CID82760458
Molecular FormulaC16H20ClNO
Molecular Weight277.79 g/mol
Exact Mass277.12
IUPAC NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-1-methylcyclohexan-1-amine
SMILESCC1(NCc2c(Cl)oc3ccccc23)CCCCC1
InChIInChI=1S/C16H20ClNO/c1-16(9-5-2-6-10-16)18-11-13-12-7-3-4-8-14(12)19-15(13)17/h3-4,7-8,18H,2,5-6,9-11H2,1H3
InChIKeyMDAHYSHHBUUOIR-UHFFFAOYSA-N
XLogP4.90
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.79
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-ethylcyclobutan-1-amine
CID 113488701
1-(2-chloro-1-benzofuran-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine
CID 82704699
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylcyclopropan-1-amine
CID 113485353
1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine
CID 82704880
N-[(2-chloro-1-benzofuran-3-yl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 82760539
2-[[(1-methylcyclohexyl)amino]methyl]-1-benzofuran-3-carboxylic acid
CID 103244865
2-[(2-chloro-1-benzofuran-3-yl)methyl]-1,1-dimethylhydrazine
CID 83004186
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-methylprop-2-en-1-amine
CID 114615968
N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-methylbutan-2-amine
CID 82760038
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 82764654
N-[(2-chloro-1-benzofuran-3-yl)methyl]-4-methylaniline
CID 82758767
N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-methylcyclohexan-1-amine
CID 82760454

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-methylcyclohexan-1-amine?
The IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-methylcyclohexan-1-amine (CID 82760458) is N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-methylcyclohexan-1-amine?
The canonical SMILES for N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-methylcyclohexan-1-amine is CC1(NCc2c(Cl)oc3ccccc23)CCCCC1.
What is the InChIKey of N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-methylcyclohexan-1-amine?
The InChIKey is MDAHYSHHBUUOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO/c1-16(9-5-2-6-10-16)18-11-13-12-7-3-4-8-14(12)19-15(13)17/h3-4,7-8,18H,2,5-6,9-11H2,1H3.
What are the key properties of N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-methylcyclohexan-1-amine?
N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-methylcyclohexan-1-amine has a molecular weight of 277.79 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-methylcyclohexan-1-amine is sourced from PubChem (CID 82760458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).