2-(3-chlorophenyl)-3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-1-amine

C26H28ClNO2 — CID 57051318

IUPAC2-(3-chlorophenyl)-3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-1-amine
SMILESCNCC(CC1CC(c2ccccc2)Oc2cc(OC)ccc21)c1cccc(Cl)c1
InChIInChI=1S/C26H28ClNO2/c1-28-17-21(19-9-6-10-22(27)14-19)13-20-15-25(18-7-4-3-5-8-18)30-26-16-23(29-2)11-12-24(20)26/h3-12,14,16,20-21,25,28H,13,15,17H2,1-2H3
InChIKeyHCMCLVJEUPAVIG-UHFFFAOYSA-N
MW421.97 g/mol
LogP6.35
Rot. Bonds7

About 2-(3-chlorophenyl)-3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-1-amine

2-(3-chlorophenyl)-3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-1-amine (PubChem CID 57051318) has the molecular formula C26H28ClNO2 and a molecular weight of 421.97 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-1-amine
PubChem CID57051318
Molecular FormulaC26H28ClNO2
Molecular Weight421.97 g/mol
Exact Mass421.18
IUPAC Name2-(3-chlorophenyl)-3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-1-amine
SMILESCNCC(CC1CC(c2ccccc2)Oc2cc(OC)ccc21)c1cccc(Cl)c1
InChIInChI=1S/C26H28ClNO2/c1-28-17-21(19-9-6-10-22(27)14-19)13-20-15-25(18-7-4-3-5-8-18)30-26-16-23(29-2)11-12-24(20)26/h3-12,14,16,20-21,25,28H,13,15,17H2,1-2H3
InChIKeyHCMCLVJEUPAVIG-UHFFFAOYSA-N
XLogP6.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.97
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-1-amine (CID 57051318) is 2-(3-chlorophenyl)-3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-1-amine is CNCC(CC1CC(c2ccccc2)Oc2cc(OC)ccc21)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-1-amine?
The InChIKey is HCMCLVJEUPAVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClNO2/c1-28-17-21(19-9-6-10-22(27)14-19)13-20-15-25(18-7-4-3-5-8-18)30-26-16-23(29-2)11-12-24(20)26/h3-12,14,16,20-21,25,28H,13,15,17H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-1-amine?
2-(3-chlorophenyl)-3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-1-amine has a molecular weight of 421.97 g/mol, XLogP of 6.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 57051318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).