1-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]-N-methylmethanamine

C16H20N2O — CID 104769097

IUPAC1-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1ccn(CC2CCOc3ccccc32)c1
InChIInChI=1S/C16H20N2O/c1-17-10-13-6-8-18(11-13)12-14-7-9-19-16-5-3-2-4-15(14)16/h2-6,8,11,14,17H,7,9-10,12H2,1H3
InChIKeyNAMCSYCUZCBWKW-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.77
Rot. Bonds4

About 1-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]-N-methylmethanamine

1-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]-N-methylmethanamine (PubChem CID 104769097) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]-N-methylmethanamine
PubChem CID104769097
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1ccn(CC2CCOc3ccccc32)c1
InChIInChI=1S/C16H20N2O/c1-17-10-13-6-8-18(11-13)12-14-7-9-19-16-5-3-2-4-15(14)16/h2-6,8,11,14,17H,7,9-10,12H2,1H3
InChIKeyNAMCSYCUZCBWKW-UHFFFAOYSA-N
XLogP2.77
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-3-carbaldehyde
CID 104769067
cyclopropyl-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]methanamine
CID 104769112
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
N-methyl-1-[1-(oxolan-2-ylmethyl)pyrrol-3-yl]methanamine
CID 66404891
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-2-yl]methyl]ethanamine
CID 104769087
1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine
CID 79229611
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methyl]propan-2-amine
CID 104771756
1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-propylpiperazine
CID 124881489
1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 115618954

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]-N-methylmethanamine (CID 104769097) is 1-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]-N-methylmethanamine is CNCc1ccn(CC2CCOc3ccccc32)c1.
What is the InChIKey of 1-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]-N-methylmethanamine?
The InChIKey is NAMCSYCUZCBWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-17-10-13-6-8-18(11-13)12-14-7-9-19-16-5-3-2-4-15(14)16/h2-6,8,11,14,17H,7,9-10,12H2,1H3.
What are the key properties of 1-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]-N-methylmethanamine?
1-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]-N-methylmethanamine has a molecular weight of 256.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 104769097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).