(3R,4S)-4-methyl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride

C13H20ClNO — CID 45265582

IUPAC(3R,4S)-4-methyl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
SMILESCCCN[C@H]1COc2ccccc2[C@@H]1C.Cl
InChIInChI=1S/C13H19NO.ClH/c1-3-8-14-12-9-15-13-7-5-4-6-11(13)10(12)2;/h4-7,10,12,14H,3,8-9H2,1-2H3;1H/t10-,12-;/m0./s1
InChIKeyYOHISTATNWHOAA-JGAZGGJJSA-N
MW241.76 g/mol
LogP2.97
Rot. Bonds3

About (3R,4S)-4-methyl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride

(3R,4S)-4-methyl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride (PubChem CID 45265582) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is (3R,4S)-4-methyl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-4-methyl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
PubChem CID45265582
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name(3R,4S)-4-methyl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
SMILESCCCN[C@H]1COc2ccccc2[C@@H]1C.Cl
InChIInChI=1S/C13H19NO.ClH/c1-3-8-14-12-9-15-13-7-5-4-6-11(13)10(12)2;/h4-7,10,12,14H,3,8-9H2,1-2H3;1H/t10-,12-;/m0./s1
InChIKeyYOHISTATNWHOAA-JGAZGGJJSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-methyl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The IUPAC name of (3R,4S)-4-methyl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride (CID 45265582) is (3R,4S)-4-methyl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride.
What is the SMILES notation for (3R,4S)-4-methyl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The canonical SMILES for (3R,4S)-4-methyl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride is CCCN[C@H]1COc2ccccc2[C@@H]1C.Cl.
What is the InChIKey of (3R,4S)-4-methyl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The InChIKey is YOHISTATNWHOAA-JGAZGGJJSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-3-8-14-12-9-15-13-7-5-4-6-11(13)10(12)2;/h4-7,10,12,14H,3,8-9H2,1-2H3;1H/t10-,12-;/m0./s1.
What are the key properties of (3R,4S)-4-methyl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
(3R,4S)-4-methyl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-methyl-N-propyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride is sourced from PubChem (CID 45265582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).