N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-3-morpholin-4-ylbutan-2-amine

C18H24Cl2N2O2 — CID 119123831

IUPACN-[(6,8-dichloro-2H-chromen-3-yl)methyl]-3-morpholin-4-ylbutan-2-amine
SMILESCC(NCC1=Cc2cc(Cl)cc(Cl)c2OC1)C(C)N1CCOCC1
InChIInChI=1S/C18H24Cl2N2O2/c1-12(13(2)22-3-5-23-6-4-22)21-10-14-7-15-8-16(19)9-17(20)18(15)24-11-14/h7-9,12-13,21H,3-6,10-11H2,1-2H3
InChIKeyFILQQWUYUIXCCF-UHFFFAOYSA-N
MW371.31 g/mol
LogP3.47
Rot. Bonds5

About N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-3-morpholin-4-ylbutan-2-amine

N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-3-morpholin-4-ylbutan-2-amine (PubChem CID 119123831) has the molecular formula C18H24Cl2N2O2 and a molecular weight of 371.31 g/mol. Its IUPAC name is N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-3-morpholin-4-ylbutan-2-amine.

Molecular Properties

Compound NameN-[(6,8-dichloro-2H-chromen-3-yl)methyl]-3-morpholin-4-ylbutan-2-amine
PubChem CID119123831
Molecular FormulaC18H24Cl2N2O2
Molecular Weight371.31 g/mol
Exact Mass370.12
IUPAC NameN-[(6,8-dichloro-2H-chromen-3-yl)methyl]-3-morpholin-4-ylbutan-2-amine
SMILESCC(NCC1=Cc2cc(Cl)cc(Cl)c2OC1)C(C)N1CCOCC1
InChIInChI=1S/C18H24Cl2N2O2/c1-12(13(2)22-3-5-23-6-4-22)21-10-14-7-15-8-16(19)9-17(20)18(15)24-11-14/h7-9,12-13,21H,3-6,10-11H2,1-2H3
InChIKeyFILQQWUYUIXCCF-UHFFFAOYSA-N
XLogP3.47
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 119125033
N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-(4-ethylpiperazin-1-yl)propan-1-amine
CID 119108028
4-[(6,8-dichloro-2H-chromen-3-yl)methylamino]-3-methylbutan-1-ol
CID 111469648
N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 119108285
N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122410
3-[4-[(6,8-dichloro-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine
CID 126767532
2-[[3-[(6,8-dichloro-2H-chromen-3-yl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042101
1-(6-chloro-2H-chromen-3-yl)-N-methylmethanamine;hydrochloride
CID 115616011
(1S,2S)-1-(4-chlorophenyl)-2-morpholin-4-ylpropan-1-ol
CID 177420176
N-[(2,4-dichlorophenyl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 43675759
4-[1-(3,5-dichloro-2-methoxyphenoxy)propyl]morpholine
CID 154101091
3-morpholin-4-yl-N-propan-2-ylbutan-2-amine
CID 115905686

Frequently Asked Questions

What is the IUPAC name of N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-3-morpholin-4-ylbutan-2-amine?
The IUPAC name of N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-3-morpholin-4-ylbutan-2-amine (CID 119123831) is N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-3-morpholin-4-ylbutan-2-amine.
What is the SMILES notation for N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-3-morpholin-4-ylbutan-2-amine?
The canonical SMILES for N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-3-morpholin-4-ylbutan-2-amine is CC(NCC1=Cc2cc(Cl)cc(Cl)c2OC1)C(C)N1CCOCC1.
What is the InChIKey of N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-3-morpholin-4-ylbutan-2-amine?
The InChIKey is FILQQWUYUIXCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O2/c1-12(13(2)22-3-5-23-6-4-22)21-10-14-7-15-8-16(19)9-17(20)18(15)24-11-14/h7-9,12-13,21H,3-6,10-11H2,1-2H3.
What are the key properties of N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-3-morpholin-4-ylbutan-2-amine?
N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-3-morpholin-4-ylbutan-2-amine has a molecular weight of 371.31 g/mol, XLogP of 3.47, 5 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]-3-morpholin-4-ylbutan-2-amine is sourced from PubChem (CID 119123831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).