N-[[2,5-dichloro-4-[(2,2-dimethoxyethylamino)methyl]phenyl]methyl]-2,2-dimethoxyethanamine

C16H26Cl2N2O4 — CID 13085769

IUPACN-[[2,5-dichloro-4-[(2,2-dimethoxyethylamino)methyl]phenyl]methyl]-2,2-dimethoxyethanamine
SMILESCOC(CNCc1cc(Cl)c(CNCC(OC)OC)cc1Cl)OC
InChIInChI=1S/C16H26Cl2N2O4/c1-21-15(22-2)9-19-7-11-5-14(18)12(6-13(11)17)8-20-10-16(23-3)24-4/h5-6,15-16,19-20H,7-10H2,1-4H3
InChIKeyHQDXNSCODZDEKX-UHFFFAOYSA-N
MW381.30 g/mol
LogP2.41
Rot. Bonds12

About N-[[2,5-dichloro-4-[(2,2-dimethoxyethylamino)methyl]phenyl]methyl]-2,2-dimethoxyethanamine

N-[[2,5-dichloro-4-[(2,2-dimethoxyethylamino)methyl]phenyl]methyl]-2,2-dimethoxyethanamine (PubChem CID 13085769) has the molecular formula C16H26Cl2N2O4 and a molecular weight of 381.30 g/mol. Its IUPAC name is N-[[2,5-dichloro-4-[(2,2-dimethoxyethylamino)methyl]phenyl]methyl]-2,2-dimethoxyethanamine.

Molecular Properties

Compound NameN-[[2,5-dichloro-4-[(2,2-dimethoxyethylamino)methyl]phenyl]methyl]-2,2-dimethoxyethanamine
PubChem CID13085769
Molecular FormulaC16H26Cl2N2O4
Molecular Weight381.30 g/mol
Exact Mass380.13
IUPAC NameN-[[2,5-dichloro-4-[(2,2-dimethoxyethylamino)methyl]phenyl]methyl]-2,2-dimethoxyethanamine
SMILESCOC(CNCc1cc(Cl)c(CNCC(OC)OC)cc1Cl)OC
InChIInChI=1S/C16H26Cl2N2O4/c1-21-15(22-2)9-19-7-11-5-14(18)12(6-13(11)17)8-20-10-16(23-3)24-4/h5-6,15-16,19-20H,7-10H2,1-4H3
InChIKeyHQDXNSCODZDEKX-UHFFFAOYSA-N
XLogP2.41
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

((3-Chlorophenyl)methyl)(2,2-dimethoxyethyl)amine
CID 60657354
3,4-Dichlorobenzyl-(2,2-dimethoxyethyl)amine
CID 23077596
(3-Chloro-4-fluoro-benzyl)-(2,2-dimethoxy-ethyl)-amine
CID 59226238
(2-Chloro-4-fluoro-benzyl)-(2,2-dimethoxy-ethyl)-amine
CID 83305080
N-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethoxyethanamine
CID 60657350
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2,2-dimethoxyethanamine
CID 60816660
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,2-dimethoxyethanamine
CID 60816810
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1,1-dimethoxypropan-2-amine
CID 64387170
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1,1-dimethoxypropan-2-amine
CID 64387754
N-[(2-chloro-6-fluorophenyl)methyl]-1,1-dimethoxypropan-2-amine
CID 64387780
N-[(3-chloro-4-fluorophenyl)methyl]-1,1-dimethoxypropan-2-amine
CID 64389125
N-[(2-chloro-6-fluorophenyl)methyl]-2,2-diethoxyethanamine
CID 78910475

Frequently Asked Questions

What is the IUPAC name of N-[[2,5-dichloro-4-[(2,2-dimethoxyethylamino)methyl]phenyl]methyl]-2,2-dimethoxyethanamine?
The IUPAC name of N-[[2,5-dichloro-4-[(2,2-dimethoxyethylamino)methyl]phenyl]methyl]-2,2-dimethoxyethanamine (CID 13085769) is N-[[2,5-dichloro-4-[(2,2-dimethoxyethylamino)methyl]phenyl]methyl]-2,2-dimethoxyethanamine.
What is the SMILES notation for N-[[2,5-dichloro-4-[(2,2-dimethoxyethylamino)methyl]phenyl]methyl]-2,2-dimethoxyethanamine?
The canonical SMILES for N-[[2,5-dichloro-4-[(2,2-dimethoxyethylamino)methyl]phenyl]methyl]-2,2-dimethoxyethanamine is COC(CNCc1cc(Cl)c(CNCC(OC)OC)cc1Cl)OC.
What is the InChIKey of N-[[2,5-dichloro-4-[(2,2-dimethoxyethylamino)methyl]phenyl]methyl]-2,2-dimethoxyethanamine?
The InChIKey is HQDXNSCODZDEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26Cl2N2O4/c1-21-15(22-2)9-19-7-11-5-14(18)12(6-13(11)17)8-20-10-16(23-3)24-4/h5-6,15-16,19-20H,7-10H2,1-4H3.
What are the key properties of N-[[2,5-dichloro-4-[(2,2-dimethoxyethylamino)methyl]phenyl]methyl]-2,2-dimethoxyethanamine?
N-[[2,5-dichloro-4-[(2,2-dimethoxyethylamino)methyl]phenyl]methyl]-2,2-dimethoxyethanamine has a molecular weight of 381.30 g/mol, XLogP of 2.41, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,5-dichloro-4-[(2,2-dimethoxyethylamino)methyl]phenyl]methyl]-2,2-dimethoxyethanamine is sourced from PubChem (CID 13085769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).