(4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine

C17H18ClNO — CID 104945012

IUPAC(4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(c1ccccc1)C1C[C@@H](N)c2cc(Cl)ccc2O1
InChIInChI=1S/C17H18ClNO/c1-11(12-5-3-2-4-6-12)17-10-15(19)14-9-13(18)7-8-16(14)20-17/h2-9,11,15,17H,10,19H2,1H3/t11?,15-,17?/m1/s1
InChIKeyQXHFTWYAYNHANG-GMQFJONSSA-N
MW287.79 g/mol
LogP4.29
Rot. Bonds2

About (4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine

(4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104945012) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is (4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104945012
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name(4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(c1ccccc1)C1C[C@@H](N)c2cc(Cl)ccc2O1
InChIInChI=1S/C17H18ClNO/c1-11(12-5-3-2-4-6-12)17-10-15(19)14-9-13(18)7-8-16(14)20-17/h2-9,11,15,17H,10,19H2,1H3/t11?,15-,17?/m1/s1
InChIKeyQXHFTWYAYNHANG-GMQFJONSSA-N
XLogP4.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949200
(4R)-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946152
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
6-chloro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709040
(4S)-2-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 104945286
(4R)-6-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945093
(4R)-6-chloro-2-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 104945006
6-chloro-2-[4-(difluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 114709061
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
6-chloro-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114714596

Frequently Asked Questions

What is the IUPAC name of (4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine (CID 104945012) is (4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine is CC(c1ccccc1)C1C[C@@H](N)c2cc(Cl)ccc2O1.
What is the InChIKey of (4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is QXHFTWYAYNHANG-GMQFJONSSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-11(12-5-3-2-4-6-12)17-10-15(19)14-9-13(18)7-8-16(14)20-17/h2-9,11,15,17H,10,19H2,1H3/t11?,15-,17?/m1/s1.
What are the key properties of (4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine?
(4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 287.79 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104945012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).