N-[4-[3-(aminomethyl)-1-benzofuran-2-yl]butyl]cyclopropanamine

C16H22N2O — CID 66338829

IUPACN-[4-[3-(aminomethyl)-1-benzofuran-2-yl]butyl]cyclopropanamine
SMILESNCc1c(CCCCNC2CC2)oc2ccccc12
InChIInChI=1S/C16H22N2O/c17-11-14-13-5-1-2-6-15(13)19-16(14)7-3-4-10-18-12-8-9-12/h1-2,5-6,12,18H,3-4,7-11,17H2
InChIKeyYMUNASHSZYDUMV-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.97
Rot. Bonds7

About N-[4-[3-(aminomethyl)-1-benzofuran-2-yl]butyl]cyclopropanamine

N-[4-[3-(aminomethyl)-1-benzofuran-2-yl]butyl]cyclopropanamine (PubChem CID 66338829) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[4-[3-(aminomethyl)-1-benzofuran-2-yl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-[3-(aminomethyl)-1-benzofuran-2-yl]butyl]cyclopropanamine
PubChem CID66338829
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[4-[3-(aminomethyl)-1-benzofuran-2-yl]butyl]cyclopropanamine
SMILESNCc1c(CCCCNC2CC2)oc2ccccc12
InChIInChI=1S/C16H22N2O/c17-11-14-13-5-1-2-6-15(13)19-16(14)7-3-4-10-18-12-8-9-12/h1-2,5-6,12,18H,3-4,7-11,17H2
InChIKeyYMUNASHSZYDUMV-UHFFFAOYSA-N
XLogP2.97
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2-butyl-1-benzofuran-3-yl)methanamine
CID 43492779
N-[4-(2-methylnaphthalen-1-yl)butyl]cyclopropanamine
CID 81432277
N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]cyclopropanamine
CID 62450257
N-[3-[2-(3-phenylpropyl)-1-benzofuran-3-yl]propyl]cyclopropanecarboxamide
CID 18522226
N-[[3-(pentoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 62449900
N-(4-phenylbutyl)oxan-4-amine
CID 115651772
N-[(2-ethyl-1-benzofuran-3-yl)methyl]cyclooctanamine
CID 43226088
3-benzyl-2-pentyl-1-benzofuran
CID 101375097
N-[[3-(2-methylpropoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 62445692
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine
CID 62417780
N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-cyclopropylethanamine
CID 43400232
[2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine
CID 64729828

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(aminomethyl)-1-benzofuran-2-yl]butyl]cyclopropanamine?
The IUPAC name of N-[4-[3-(aminomethyl)-1-benzofuran-2-yl]butyl]cyclopropanamine (CID 66338829) is N-[4-[3-(aminomethyl)-1-benzofuran-2-yl]butyl]cyclopropanamine.
What is the SMILES notation for N-[4-[3-(aminomethyl)-1-benzofuran-2-yl]butyl]cyclopropanamine?
The canonical SMILES for N-[4-[3-(aminomethyl)-1-benzofuran-2-yl]butyl]cyclopropanamine is NCc1c(CCCCNC2CC2)oc2ccccc12.
What is the InChIKey of N-[4-[3-(aminomethyl)-1-benzofuran-2-yl]butyl]cyclopropanamine?
The InChIKey is YMUNASHSZYDUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c17-11-14-13-5-1-2-6-15(13)19-16(14)7-3-4-10-18-12-8-9-12/h1-2,5-6,12,18H,3-4,7-11,17H2.
What are the key properties of N-[4-[3-(aminomethyl)-1-benzofuran-2-yl]butyl]cyclopropanamine?
N-[4-[3-(aminomethyl)-1-benzofuran-2-yl]butyl]cyclopropanamine has a molecular weight of 258.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(aminomethyl)-1-benzofuran-2-yl]butyl]cyclopropanamine is sourced from PubChem (CID 66338829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).