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

C16H20ClNO — CID 82760454

IUPACN-[(2-chloro-1-benzofuran-3-yl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCc2c(Cl)oc3ccccc23)C1
InChIInChI=1S/C16H20ClNO/c1-11-5-4-6-12(9-11)18-10-14-13-7-2-3-8-15(13)19-16(14)17/h2-3,7-8,11-12,18H,4-6,9-10H2,1H3
InChIKeyVLRPCIWRAGCLND-UHFFFAOYSA-N
MW277.79 g/mol
LogP4.75
Rot. Bonds3

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

N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-methylcyclohexan-1-amine (PubChem CID 82760454) 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]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-3-methylcyclohexan-1-amine
PubChem CID82760454
Molecular FormulaC16H20ClNO
Molecular Weight277.79 g/mol
Exact Mass277.12
IUPAC NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCc2c(Cl)oc3ccccc23)C1
InChIInChI=1S/C16H20ClNO/c1-11-5-4-6-12(9-11)18-10-14-13-7-2-3-8-15(13)19-16(14)17/h2-3,7-8,11-12,18H,4-6,9-10H2,1H3
InChIKeyVLRPCIWRAGCLND-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-1-benzofuran-3-yl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 82760539
3-[(2-chloro-1-benzofuran-3-yl)methylamino]cyclobutan-1-ol
CID 82760208
3-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine
CID 43317418
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-ethylcyclopropan-1-amine
CID 113341551
1-[[(3-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride
CID 44531472
1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine
CID 82704880
N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43178807
N-[(2-ethyl-1-benzofuran-3-yl)methyl]cyclooctanamine
CID 43226088
2-[[(3-methylcyclopentyl)amino]methyl]-1-benzofuran-3-carboxylic acid
CID 103266888
N-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317453
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopentylethanamine
CID 82759724
3-[(2-chloro-1-benzofuran-3-yl)methylamino]azepan-2-one
CID 82705335

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-methylcyclohexan-1-amine (CID 82760454) is N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-methylcyclohexan-1-amine is CC1CCCC(NCc2c(Cl)oc3ccccc23)C1.
What is the InChIKey of N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-methylcyclohexan-1-amine?
The InChIKey is VLRPCIWRAGCLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO/c1-11-5-4-6-12(9-11)18-10-14-13-7-2-3-8-15(13)19-16(14)17/h2-3,7-8,11-12,18H,4-6,9-10H2,1H3.
What are the key properties of N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-methylcyclohexan-1-amine?
N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-methylcyclohexan-1-amine has a molecular weight of 277.79 g/mol, XLogP of 4.75, 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]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 82760454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).