(4R)-6-chloro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine

C15H15ClN2O — CID 104945059

IUPAC(4R)-6-chloro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(C2C[C@@H](N)c3cc(Cl)ccc3O2)cn1
InChIInChI=1S/C15H15ClN2O/c1-9-2-3-10(8-18-9)15-7-13(17)12-6-11(16)4-5-14(12)19-15/h2-6,8,13,15H,7,17H2,1H3/t13-,15?/m1/s1
InChIKeySIYHQBNHHCSBBK-AFYYWNPRSA-N
MW274.75 g/mol
LogP3.57
Rot. Bonds1

About (4R)-6-chloro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine

(4R)-6-chloro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104945059) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is (4R)-6-chloro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-6-chloro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104945059
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name(4R)-6-chloro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(C2C[C@@H](N)c3cc(Cl)ccc3O2)cn1
InChIInChI=1S/C15H15ClN2O/c1-9-2-3-10(8-18-9)15-7-13(17)12-6-11(16)4-5-14(12)19-15/h2-6,8,13,15H,7,17H2,1H3/t13-,15?/m1/s1
InChIKeySIYHQBNHHCSBBK-AFYYWNPRSA-N
XLogP3.57
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945331
7-fluoro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 114710334
2-(4-bromo-3-methylphenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 114708916
6-chloro-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114708988
2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 114708908
(4R)-2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 104944930
6-chloro-2-[4-(difluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 114709061
(4S)-6-chloro-2-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945215
(4S)-6-chloro-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 107126233
(4S)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104945210
(4S)-6-chloro-2-(1,3-dimethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104945327
(4R)-6-chloro-2-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104980323

Frequently Asked Questions

What is the IUPAC name of (4R)-6-chloro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-6-chloro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine (CID 104945059) is (4R)-6-chloro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-6-chloro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-6-chloro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine is Cc1ccc(C2C[C@@H](N)c3cc(Cl)ccc3O2)cn1.
What is the InChIKey of (4R)-6-chloro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is SIYHQBNHHCSBBK-AFYYWNPRSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-9-2-3-10(8-18-9)15-7-13(17)12-6-11(16)4-5-14(12)19-15/h2-6,8,13,15H,7,17H2,1H3/t13-,15?/m1/s1.
What are the key properties of (4R)-6-chloro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine?
(4R)-6-chloro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 274.75 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104945059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).