(4S)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-amine

C17H16ClNO2 — CID 104945210

IUPAC(4S)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1CC(c2ccc3c(c2)CCO3)Oc2ccc(Cl)cc21
InChIInChI=1S/C17H16ClNO2/c18-12-2-4-16-13(8-12)14(19)9-17(21-16)10-1-3-15-11(7-10)5-6-20-15/h1-4,7-8,14,17H,5-6,9,19H2/t14-,17?/m0/s1
InChIKeyBDRGMSBHTXEXRB-MBIQTGHCSA-N
MW301.77 g/mol
LogP3.80
Rot. Bonds1

About (4S)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-amine

(4S)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104945210) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is (4S)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104945210
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name(4S)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1CC(c2ccc3c(c2)CCO3)Oc2ccc(Cl)cc21
InChIInChI=1S/C17H16ClNO2/c18-12-2-4-16-13(8-12)14(19)9-17(21-16)10-1-3-15-11(7-10)5-6-20-15/h1-4,7-8,14,17H,5-6,9,19H2/t14-,17?/m0/s1
InChIKeyBDRGMSBHTXEXRB-MBIQTGHCSA-N
XLogP3.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104949177
6-chloro-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114708988
(4S)-7-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104945659
(4S)-6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945331
(4R)-2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 104944930
2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 114708908
2-(4-bromo-3-methylphenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 114708916
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
(4R)-6-chloro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945059
2-(3-chloro-4-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114708584
(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 (4S)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-amine (CID 104945210) is (4S)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-amine is N[C@H]1CC(c2ccc3c(c2)CCO3)Oc2ccc(Cl)cc21.
What is the InChIKey of (4S)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is BDRGMSBHTXEXRB-MBIQTGHCSA-N. The full InChI is InChI=1S/C17H16ClNO2/c18-12-2-4-16-13(8-12)14(19)9-17(21-16)10-1-3-15-11(7-10)5-6-20-15/h1-4,7-8,14,17H,5-6,9,19H2/t14-,17?/m0/s1.
What are the key properties of (4S)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-amine?
(4S)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 301.77 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104945210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).