1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine

C14H16N2O — CID 62338719

IUPAC1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
SMILESc1c[nH]c(CNCC2Cc3ccccc3O2)c1
InChIInChI=1S/C14H16N2O/c1-2-6-14-11(4-1)8-13(17-14)10-15-9-12-5-3-7-16-12/h1-7,13,15-16H,8-10H2
InChIKeyYQEPGJRGZGVHGJ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.11
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine

1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine (PubChem CID 62338719) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
PubChem CID62338719
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
SMILESc1c[nH]c(CNCC2Cc3ccccc3O2)c1
InChIInChI=1S/C14H16N2O/c1-2-6-14-11(4-1)8-13(17-14)10-15-9-12-5-3-7-16-12/h1-7,13,15-16H,8-10H2
InChIKeyYQEPGJRGZGVHGJ-UHFFFAOYSA-N
XLogP2.11
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 19063201
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine
CID 114505487
N-[(5-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 54895688
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 63050382
1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 62998098
1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
CID 60752409
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-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825
5-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]thiophene-2-carbonitrile
CID 115675503
1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol
CID 61004261

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine (CID 62338719) is 1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine is c1c[nH]c(CNCC2Cc3ccccc3O2)c1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine?
The InChIKey is YQEPGJRGZGVHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-6-14-11(4-1)8-13(17-14)10-15-9-12-5-3-7-16-12/h1-7,13,15-16H,8-10H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine?
1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine has a molecular weight of 228.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 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-(1H-pyrrol-2-ylmethyl)methanamine is sourced from PubChem (CID 62338719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).