2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-2-yl]ethanamine

C17H26N2O — CID 104769014

IUPAC2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-2-yl]ethanamine
SMILESNCCC1CCCCN1CC1CCOc2ccccc21
InChIInChI=1S/C17H26N2O/c18-10-8-15-5-3-4-11-19(15)13-14-9-12-20-17-7-2-1-6-16(14)17/h1-2,6-7,14-15H,3-5,8-13,18H2
InChIKeySROOTLUVLGPXLT-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.76
Rot. Bonds4

About 2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-2-yl]ethanamine

2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-2-yl]ethanamine (PubChem CID 104769014) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-2-yl]ethanamine
PubChem CID104769014
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-2-yl]ethanamine
SMILESNCCC1CCCCN1CC1CCOc2ccccc21
InChIInChI=1S/C17H26N2O/c18-10-8-15-5-3-4-11-19(15)13-14-9-12-20-17-7-2-1-6-16(14)17/h1-2,6-7,14-15H,3-5,8-13,18H2
InChIKeySROOTLUVLGPXLT-UHFFFAOYSA-N
XLogP2.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azepan-2-yl]methanamine
CID 116640577
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234
2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 114802617
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]ethanamine
CID 66365373
N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-2-yl]methyl]ethanamine
CID 79230189
[2-(aminomethyl)piperidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 63709950
[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]methanamine
CID 113451461
N'-cyclohexyl-N'-(3,4-dihydro-2H-chromen-4-ylmethyl)ethane-1,2-diamine
CID 104771493
3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-amine
CID 104771510
2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-2-yl]ethanamine
CID 104771079

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-2-yl]ethanamine?
The IUPAC name of 2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-2-yl]ethanamine (CID 104769014) is 2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-2-yl]ethanamine?
The canonical SMILES for 2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-2-yl]ethanamine is NCCC1CCCCN1CC1CCOc2ccccc21.
What is the InChIKey of 2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-2-yl]ethanamine?
The InChIKey is SROOTLUVLGPXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c18-10-8-15-5-3-4-11-19(15)13-14-9-12-20-17-7-2-1-6-16(14)17/h1-2,6-7,14-15H,3-5,8-13,18H2.
What are the key properties of 2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-2-yl]ethanamine?
2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-2-yl]ethanamine has a molecular weight of 274.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-2-yl]ethanamine is sourced from PubChem (CID 104769014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).