(4R)-8-methyl-3,4-dihydro-2H-chromene-4,5-diamine;hydrochloride

C10H15ClN2O — CID 171252405

IUPAC(4R)-8-methyl-3,4-dihydro-2H-chromene-4,5-diamine;hydrochloride
SMILESCc1ccc(N)c2c1OCC[C@H]2N.Cl
InChIInChI=1S/C10H14N2O.ClH/c1-6-2-3-7(11)9-8(12)4-5-13-10(6)9;/h2-3,8H,4-5,11-12H2,1H3;1H/t8-;/m1./s1
InChIKeyPIEKTHWDUSPXST-DDWIOCJRSA-N
MW214.70 g/mol
LogP1.78
Rot. Bonds

About (4R)-8-methyl-3,4-dihydro-2H-chromene-4,5-diamine;hydrochloride

(4R)-8-methyl-3,4-dihydro-2H-chromene-4,5-diamine;hydrochloride (PubChem CID 171252405) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is (4R)-8-methyl-3,4-dihydro-2H-chromene-4,5-diamine;hydrochloride.

Molecular Properties

Compound Name(4R)-8-methyl-3,4-dihydro-2H-chromene-4,5-diamine;hydrochloride
PubChem CID171252405
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name(4R)-8-methyl-3,4-dihydro-2H-chromene-4,5-diamine;hydrochloride
SMILESCc1ccc(N)c2c1OCC[C@H]2N.Cl
InChIInChI=1S/C10H14N2O.ClH/c1-6-2-3-7(11)9-8(12)4-5-13-10(6)9;/h2-3,8H,4-5,11-12H2,1H3;1H/t8-;/m1./s1
InChIKeyPIEKTHWDUSPXST-DDWIOCJRSA-N
XLogP1.78
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4S)-5-chloro-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 78961328
(4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 103693936
(4R)-5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 55275271
(4R)-8-ethyl-3,4-dihydro-2H-chromene-4,5-diamine
CID 131081672
8-chloro-5-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43173859
(4S)-8-fluoro-5-methyl-3,4-dihydro-2H-chromen-4-amine
CID 78961066
(4R)-8-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 75412145
(5R)-6-fluoro-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 102990333
5,8-difluoro-3,4-dihydro-2H-chromen-4-amine
CID 59704967
(5S)-9-fluoro-6-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 79014270
5-chloro-8-methyl-3,4-dihydro-2H-chromene-4-thiol
CID 130774940
(4R)-5,8-dibromo-3,4-dihydro-2H-chromen-4-amine
CID 130667179

Frequently Asked Questions

What is the IUPAC name of (4R)-8-methyl-3,4-dihydro-2H-chromene-4,5-diamine;hydrochloride?
The IUPAC name of (4R)-8-methyl-3,4-dihydro-2H-chromene-4,5-diamine;hydrochloride (CID 171252405) is (4R)-8-methyl-3,4-dihydro-2H-chromene-4,5-diamine;hydrochloride.
What is the SMILES notation for (4R)-8-methyl-3,4-dihydro-2H-chromene-4,5-diamine;hydrochloride?
The canonical SMILES for (4R)-8-methyl-3,4-dihydro-2H-chromene-4,5-diamine;hydrochloride is Cc1ccc(N)c2c1OCC[C@H]2N.Cl.
What is the InChIKey of (4R)-8-methyl-3,4-dihydro-2H-chromene-4,5-diamine;hydrochloride?
The InChIKey is PIEKTHWDUSPXST-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H14N2O.ClH/c1-6-2-3-7(11)9-8(12)4-5-13-10(6)9;/h2-3,8H,4-5,11-12H2,1H3;1H/t8-;/m1./s1.
What are the key properties of (4R)-8-methyl-3,4-dihydro-2H-chromene-4,5-diamine;hydrochloride?
(4R)-8-methyl-3,4-dihydro-2H-chromene-4,5-diamine;hydrochloride has a molecular weight of 214.70 g/mol, XLogP of 1.78, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-methyl-3,4-dihydro-2H-chromene-4,5-diamine;hydrochloride is sourced from PubChem (CID 171252405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).