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

C15H18ClNO — CID 113488701

IUPACN-[(2-chloro-1-benzofuran-3-yl)methyl]-1-ethylcyclobutan-1-amine
SMILESCCC1(NCc2c(Cl)oc3ccccc23)CCC1
InChIInChI=1S/C15H18ClNO/c1-2-15(8-5-9-15)17-10-12-11-6-3-4-7-13(11)18-14(12)16/h3-4,6-7,17H,2,5,8-10H2,1H3
InChIKeyHFHVDIDWMBHXSR-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.51
Rot. Bonds4

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

N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-ethylcyclobutan-1-amine (PubChem CID 113488701) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-ethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-1-ethylcyclobutan-1-amine
PubChem CID113488701
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-1-ethylcyclobutan-1-amine
SMILESCCC1(NCc2c(Cl)oc3ccccc23)CCC1
InChIInChI=1S/C15H18ClNO/c1-2-15(8-5-9-15)17-10-12-11-6-3-4-7-13(11)18-14(12)16/h3-4,6-7,17H,2,5,8-10H2,1H3
InChIKeyHFHVDIDWMBHXSR-UHFFFAOYSA-N
XLogP4.51
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-methylcyclohexan-1-amine
CID 82760458
3-[[(1-ethylcyclobutyl)amino]methyl]-1-benzofuran-2-carboxylic acid
CID 103264746
1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine
CID 82704880
1-(2-chloro-1-benzofuran-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine
CID 82704699
1-[(2-chloro-1-benzofuran-3-yl)methylamino]-2-methylbutan-2-ol
CID 82705341
[1-[(2-ethyl-1-benzofuran-3-yl)methylamino]cyclopentyl]methanol
CID 62523800
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-methylprop-2-en-1-amine
CID 114615968
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 82757959
3-[[(2-chloro-1-benzofuran-3-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268423
N-[(2-chloro-1-benzofuran-3-yl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 82760539
2-[(2-chloro-1-benzofuran-3-yl)methyl]-1,1-dimethylhydrazine
CID 83004186
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115777581

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-ethylcyclobutan-1-amine?
The IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-ethylcyclobutan-1-amine (CID 113488701) is N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-ethylcyclobutan-1-amine.
What is the SMILES notation for N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-ethylcyclobutan-1-amine?
The canonical SMILES for N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-ethylcyclobutan-1-amine is CCC1(NCc2c(Cl)oc3ccccc23)CCC1.
What is the InChIKey of N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-ethylcyclobutan-1-amine?
The InChIKey is HFHVDIDWMBHXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-2-15(8-5-9-15)17-10-12-11-6-3-4-7-13(11)18-14(12)16/h3-4,6-7,17H,2,5,8-10H2,1H3.
What are the key properties of N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-ethylcyclobutan-1-amine?
N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-ethylcyclobutan-1-amine has a molecular weight of 263.77 g/mol, XLogP of 4.51, 4 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-ethylcyclobutan-1-amine is sourced from PubChem (CID 113488701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).