1-cyclopropyl-N-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine

C17H25NO — CID 66391960

IUPAC1-cyclopropyl-N-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine
SMILESCNC(CCCC1Cc2cc(C)ccc2O1)C1CC1
InChIInChI=1S/C17H25NO/c1-12-6-9-17-14(10-12)11-15(19-17)4-3-5-16(18-2)13-7-8-13/h6,9-10,13,15-16,18H,3-5,7-8,11H2,1-2H3
InChIKeyAVUPVCNDJCMOTJ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.47
Rot. Bonds6

About 1-cyclopropyl-N-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine

1-cyclopropyl-N-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine (PubChem CID 66391960) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine
PubChem CID66391960
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-cyclopropyl-N-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine
SMILESCNC(CCCC1Cc2cc(C)ccc2O1)C1CC1
InChIInChI=1S/C17H25NO/c1-12-6-9-17-14(10-12)11-15(19-17)4-3-5-16(18-2)13-7-8-13/h6,9-10,13,15-16,18H,3-5,7-8,11H2,1-2H3
InChIKeyAVUPVCNDJCMOTJ-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-3-amine
CID 66362736
N-ethyl-2-methyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine
CID 66391958
N-ethyl-2,2-dimethyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine
CID 66392350
N-ethyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine
CID 66393308
N-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-1-phenylpropan-1-amine
CID 66362161
2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200722
2-(3-chloro-4-methylpentyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 66361236
N-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propan-2-amine
CID 66360873
2-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-ol
CID 66391376
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentanamine
CID 66360179
3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propanoic acid
CID 66360253
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine
CID 66360582

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine?
The IUPAC name of 1-cyclopropyl-N-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine (CID 66391960) is 1-cyclopropyl-N-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine is CNC(CCCC1Cc2cc(C)ccc2O1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine?
The InChIKey is AVUPVCNDJCMOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-6-9-17-14(10-12)11-15(19-17)4-3-5-16(18-2)13-7-8-13/h6,9-10,13,15-16,18H,3-5,7-8,11H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine?
1-cyclopropyl-N-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine is sourced from PubChem (CID 66391960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).