(3S)-5-(2-pyrrolidin-2-ylethoxy)-3,4-dihydro-2H-chromen-3-amine

C15H22N2O2 — CID 69173839

IUPAC(3S)-5-(2-pyrrolidin-2-ylethoxy)-3,4-dihydro-2H-chromen-3-amine
SMILESN[C@@H]1COc2cccc(OCCC3CCCN3)c2C1
InChIInChI=1S/C15H22N2O2/c16-11-9-13-14(4-1-5-15(13)19-10-11)18-8-6-12-3-2-7-17-12/h1,4-5,11-12,17H,2-3,6-10,16H2/t11-,12?/m0/s1
InChIKeyLMNNBQGHVZGGFL-PXYINDEMSA-N
MW262.35 g/mol
LogP1.47
Rot. Bonds4

About (3S)-5-(2-pyrrolidin-2-ylethoxy)-3,4-dihydro-2H-chromen-3-amine

(3S)-5-(2-pyrrolidin-2-ylethoxy)-3,4-dihydro-2H-chromen-3-amine (PubChem CID 69173839) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (3S)-5-(2-pyrrolidin-2-ylethoxy)-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name(3S)-5-(2-pyrrolidin-2-ylethoxy)-3,4-dihydro-2H-chromen-3-amine
PubChem CID69173839
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(3S)-5-(2-pyrrolidin-2-ylethoxy)-3,4-dihydro-2H-chromen-3-amine
SMILESN[C@@H]1COc2cccc(OCCC3CCCN3)c2C1
InChIInChI=1S/C15H22N2O2/c16-11-9-13-14(4-1-5-15(13)19-10-11)18-8-6-12-3-2-7-17-12/h1,4-5,11-12,17H,2-3,6-10,16H2/t11-,12?/m0/s1
InChIKeyLMNNBQGHVZGGFL-PXYINDEMSA-N
XLogP1.47
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-5-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-chromen-3-amine
CID 69173545
4-[[(3S)-3-amino-3,4-dihydro-2H-chromen-5-yl]oxy]butan-2-ylcarbamic acid
CID 69172209
2-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 23339323
2-[2-(2,3-dimethoxyphenoxy)ethyl]piperidine
CID 112500840
2-[2-(2-phenylphenoxy)ethyl]piperidine
CID 43149968
2-[3-(2-chlorophenoxy)propyl]pyrrolidine
CID 62478542
3-methoxy-4-(2-pyrrolidin-2-ylethoxy)aniline
CID 67304202
2-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 43149996
2-[2-(3-methylphenoxy)ethyl]pyrrolidine
CID 23339440
2-[2-[2-(5-phenylpentyl)phenoxy]ethyl]pyrrolidine
CID 142647232
4-[2-(2-piperidin-2-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine
CID 54164808
ethyl 2-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate
CID 86320486

Frequently Asked Questions

What is the IUPAC name of (3S)-5-(2-pyrrolidin-2-ylethoxy)-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of (3S)-5-(2-pyrrolidin-2-ylethoxy)-3,4-dihydro-2H-chromen-3-amine (CID 69173839) is (3S)-5-(2-pyrrolidin-2-ylethoxy)-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for (3S)-5-(2-pyrrolidin-2-ylethoxy)-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for (3S)-5-(2-pyrrolidin-2-ylethoxy)-3,4-dihydro-2H-chromen-3-amine is N[C@@H]1COc2cccc(OCCC3CCCN3)c2C1.
What is the InChIKey of (3S)-5-(2-pyrrolidin-2-ylethoxy)-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is LMNNBQGHVZGGFL-PXYINDEMSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-11-9-13-14(4-1-5-15(13)19-10-11)18-8-6-12-3-2-7-17-12/h1,4-5,11-12,17H,2-3,6-10,16H2/t11-,12?/m0/s1.
What are the key properties of (3S)-5-(2-pyrrolidin-2-ylethoxy)-3,4-dihydro-2H-chromen-3-amine?
(3S)-5-(2-pyrrolidin-2-ylethoxy)-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 262.35 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-(2-pyrrolidin-2-ylethoxy)-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 69173839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).