N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-(4-ethylpiperazin-1-yl)propan-1-amine

C19H27Cl2N3O — CID 119108028

IUPACN-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-(4-ethylpiperazin-1-yl)propan-1-amine
SMILESCCN1CCN(C(C)CNCC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1
InChIInChI=1S/C19H27Cl2N3O/c1-3-23-4-6-24(7-5-23)14(2)11-22-12-15-8-16-9-17(20)10-18(21)19(16)25-13-15/h8-10,14,22H,3-7,11-13H2,1-2H3
InChIKeyPXSKUTUZACSXTG-UHFFFAOYSA-N
MW384.35 g/mol
LogP3.38
Rot. Bonds6

About N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-(4-ethylpiperazin-1-yl)propan-1-amine

N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-(4-ethylpiperazin-1-yl)propan-1-amine (PubChem CID 119108028) has the molecular formula C19H27Cl2N3O and a molecular weight of 384.35 g/mol. Its IUPAC name is N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-(4-ethylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-(4-ethylpiperazin-1-yl)propan-1-amine
PubChem CID119108028
Molecular FormulaC19H27Cl2N3O
Molecular Weight384.35 g/mol
Exact Mass383.15
IUPAC NameN-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-(4-ethylpiperazin-1-yl)propan-1-amine
SMILESCCN1CCN(C(C)CNCC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1
InChIInChI=1S/C19H27Cl2N3O/c1-3-23-4-6-24(7-5-23)14(2)11-22-12-15-8-16-9-17(20)10-18(21)19(16)25-13-15/h8-10,14,22H,3-7,11-13H2,1-2H3
InChIKeyPXSKUTUZACSXTG-UHFFFAOYSA-N
XLogP3.38
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-(4-ethylpiperazin-1-yl)propan-1-amine?
The IUPAC name of N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-(4-ethylpiperazin-1-yl)propan-1-amine (CID 119108028) is N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-(4-ethylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-(4-ethylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-(4-ethylpiperazin-1-yl)propan-1-amine is CCN1CCN(C(C)CNCC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1.
What is the InChIKey of N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-(4-ethylpiperazin-1-yl)propan-1-amine?
The InChIKey is PXSKUTUZACSXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27Cl2N3O/c1-3-23-4-6-24(7-5-23)14(2)11-22-12-15-8-16-9-17(20)10-18(21)19(16)25-13-15/h8-10,14,22H,3-7,11-13H2,1-2H3.
What are the key properties of N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-(4-ethylpiperazin-1-yl)propan-1-amine?
N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-(4-ethylpiperazin-1-yl)propan-1-amine has a molecular weight of 384.35 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-(4-ethylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 119108028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).