1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine

C16H23NO — CID 114113651

IUPAC1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
SMILESCC(C)C1(CNCC2Cc3ccccc3O2)CC1
InChIInChI=1S/C16H23NO/c1-12(2)16(7-8-16)11-17-10-14-9-13-5-3-4-6-15(13)18-14/h3-6,12,14,17H,7-11H2,1-2H3
InChIKeyHEQIDPZDKVYJRI-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.02
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine

1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine (PubChem CID 114113651) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
PubChem CID114113651
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
SMILESCC(C)C1(CNCC2Cc3ccccc3O2)CC1
InChIInChI=1S/C16H23NO/c1-12(2)16(7-8-16)11-17-10-14-9-13-5-3-4-6-15(13)18-14/h3-6,12,14,17H,7-11H2,1-2H3
InChIKeyHEQIDPZDKVYJRI-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 104585916
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 114119430
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethylbutan-1-amine
CID 66365130
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905615
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83144599
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine
CID 114505487
N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 19063201
1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol
CID 61004261
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 54888631
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine
CID 63492046
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 54895983

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine (CID 114113651) is 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine is CC(C)C1(CNCC2Cc3ccccc3O2)CC1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine?
The InChIKey is HEQIDPZDKVYJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12(2)16(7-8-16)11-17-10-14-9-13-5-3-4-6-15(13)18-14/h3-6,12,14,17H,7-11H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine?
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine has a molecular weight of 245.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 114113651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).