(4S)-2-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine

C16H16ClNO — CID 104945286

IUPAC(4S)-2-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1CC(Cc2ccccc2)Oc2ccc(Cl)cc21
InChIInChI=1S/C16H16ClNO/c17-12-6-7-16-14(9-12)15(18)10-13(19-16)8-11-4-2-1-3-5-11/h1-7,9,13,15H,8,10,18H2/t13?,15-/m0/s1
InChIKeyDBCRSFCTALMXBU-WUJWULDRSA-N
MW273.76 g/mol
LogP3.73
Rot. Bonds2

About (4S)-2-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine

(4S)-2-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104945286) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is (4S)-2-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-2-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine
PubChem CID104945286
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name(4S)-2-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1CC(Cc2ccccc2)Oc2ccc(Cl)cc21
InChIInChI=1S/C16H16ClNO/c17-12-6-7-16-14(9-12)15(18)10-13(19-16)8-11-4-2-1-3-5-11/h1-7,9,13,15H,8,10,18H2/t13?,15-/m0/s1
InChIKeyDBCRSFCTALMXBU-WUJWULDRSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114708632
(4R)-6-chloro-2-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 104945006
6-chloro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709040
(4S)-6-chloro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945167
2-benzyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114708832
(4R)-6-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945093
(4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945012
6-chloro-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine
CID 114709076
(4R)-6-chloro-2-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944920
(4R)-6-chloro-2-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104980323
6-chloro-2-(4-methylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114201319
(4R)-6-chloro-2-(4-methylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114201320

Frequently Asked Questions

What is the IUPAC name of (4S)-2-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-2-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine (CID 104945286) is (4S)-2-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-2-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-2-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine is N[C@H]1CC(Cc2ccccc2)Oc2ccc(Cl)cc21.
What is the InChIKey of (4S)-2-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is DBCRSFCTALMXBU-WUJWULDRSA-N. The full InChI is InChI=1S/C16H16ClNO/c17-12-6-7-16-14(9-12)15(18)10-13(19-16)8-11-4-2-1-3-5-11/h1-7,9,13,15H,8,10,18H2/t13?,15-/m0/s1.
What are the key properties of (4S)-2-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine?
(4S)-2-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 273.76 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104945286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).