N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-N'-ethyl-N'-methylethane-1,2-diamine

C15H20Cl2N2O — CID 119108285

IUPACN-[(6,8-dichloro-2H-chromen-3-yl)methyl]-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNCC1=Cc2cc(Cl)cc(Cl)c2OC1
InChIInChI=1S/C15H20Cl2N2O/c1-3-19(2)5-4-18-9-11-6-12-7-13(16)8-14(17)15(12)20-10-11/h6-8,18H,3-5,9-10H2,1-2H3
InChIKeyMOLZZTQKBGIMSG-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.31
Rot. Bonds6

About N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-N'-ethyl-N'-methylethane-1,2-diamine

N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-N'-ethyl-N'-methylethane-1,2-diamine (PubChem CID 119108285) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-N'-ethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(6,8-dichloro-2H-chromen-3-yl)methyl]-N'-ethyl-N'-methylethane-1,2-diamine
PubChem CID119108285
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC NameN-[(6,8-dichloro-2H-chromen-3-yl)methyl]-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNCC1=Cc2cc(Cl)cc(Cl)c2OC1
InChIInChI=1S/C15H20Cl2N2O/c1-3-19(2)5-4-18-9-11-6-12-7-13(16)8-14(17)15(12)20-10-11/h6-8,18H,3-5,9-10H2,1-2H3
InChIKeyMOLZZTQKBGIMSG-UHFFFAOYSA-N
XLogP3.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
1-(6,8-dichloro-2H-chromen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 119108472
N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 119125033
N-[(6-chloro-2H-chromen-3-yl)methyl]propan-1-amine
CID 115605423
2-[[3-[(6,8-dichloro-2H-chromen-3-yl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042101
(1S)-N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(furan-2-yl)ethanamine
CID 52503017
N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-3-morpholin-4-ylbutan-2-amine
CID 119123831
N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122410
N-[(6-chloro-2H-chromen-3-yl)methyl]ethanamine
CID 115615997
1-(6-chloro-2H-chromen-3-yl)-N-methylmethanamine;hydrochloride
CID 115616011
N-[(4-chloro-2-methylphenyl)methyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 104854071

Frequently Asked Questions

What is the IUPAC name of N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-N'-ethyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-N'-ethyl-N'-methylethane-1,2-diamine (CID 119108285) is N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-N'-ethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-N'-ethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-N'-ethyl-N'-methylethane-1,2-diamine is CCN(C)CCNCC1=Cc2cc(Cl)cc(Cl)c2OC1.
What is the InChIKey of N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-N'-ethyl-N'-methylethane-1,2-diamine?
The InChIKey is MOLZZTQKBGIMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-3-19(2)5-4-18-9-11-6-12-7-13(16)8-14(17)15(12)20-10-11/h6-8,18H,3-5,9-10H2,1-2H3.
What are the key properties of N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-N'-ethyl-N'-methylethane-1,2-diamine?
N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-N'-ethyl-N'-methylethane-1,2-diamine has a molecular weight of 315.24 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-N'-ethyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 119108285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).