N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclopropyl)methanamine

C15H19NO — CID 115774534

IUPACN-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclopropyl)methanamine
SMILESCc1oc2ccccc2c1CNCC1CC1C
InChIInChI=1S/C15H19NO/c1-10-7-12(10)8-16-9-14-11(2)17-15-6-4-3-5-13(14)15/h3-6,10,12,16H,7-9H2,1-2H3
InChIKeyDSSAIRQZSZVJAW-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.49
Rot. Bonds4

About N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclopropyl)methanamine

N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclopropyl)methanamine (PubChem CID 115774534) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclopropyl)methanamine
PubChem CID115774534
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclopropyl)methanamine
SMILESCc1oc2ccccc2c1CNCC1CC1C
InChIInChI=1S/C15H19NO/c1-10-7-12(10)8-16-9-14-11(2)17-15-6-4-3-5-13(14)15/h3-6,10,12,16H,7-9H2,1-2H3
InChIKeyDSSAIRQZSZVJAW-UHFFFAOYSA-N
XLogP3.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopropan-1-amine
CID 103859108
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine
CID 103859199
N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103859053
[4-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]phenyl]methanol
CID 107230098
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63454846
6-[(2-methyl-1-benzofuran-3-yl)methylamino]hexan-1-ol
CID 103924069
2,2-difluoro-3-[(2-methyl-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 113462728
4,4-dimethyl-1-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-2-ol
CID 103859112
3-butoxy-N-[(2-methyl-1-benzofuran-3-yl)methyl]propan-1-amine
CID 115774516
N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine
CID 114955011
3,3-dimethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopentan-1-amine
CID 114544332
N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-[(2R,5S)-5-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methanamine
CID 167830173

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclopropyl)methanamine?
The IUPAC name of N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclopropyl)methanamine (CID 115774534) is N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclopropyl)methanamine.
What is the SMILES notation for N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclopropyl)methanamine?
The canonical SMILES for N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclopropyl)methanamine is Cc1oc2ccccc2c1CNCC1CC1C.
What is the InChIKey of N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclopropyl)methanamine?
The InChIKey is DSSAIRQZSZVJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-10-7-12(10)8-16-9-14-11(2)17-15-6-4-3-5-13(14)15/h3-6,10,12,16H,7-9H2,1-2H3.
What are the key properties of N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclopropyl)methanamine?
N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclopropyl)methanamine has a molecular weight of 229.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclopropyl)methanamine is sourced from PubChem (CID 115774534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).