2-(3,4-dichlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine

C14H19Cl2NO2 — CID 116764414

IUPAC2-(3,4-dichlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
SMILESCOC1(C(N)Cc2ccc(Cl)c(Cl)c2)CCOCC1
InChIInChI=1S/C14H19Cl2NO2/c1-18-14(4-6-19-7-5-14)13(17)9-10-2-3-11(15)12(16)8-10/h2-3,8,13H,4-7,9,17H2,1H3
InChIKeyMPNYXHXNVCUXPJ-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.06
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine

2-(3,4-dichlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine (PubChem CID 116764414) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
PubChem CID116764414
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Name2-(3,4-dichlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
SMILESCOC1(C(N)Cc2ccc(Cl)c(Cl)c2)CCOCC1
InChIInChI=1S/C14H19Cl2NO2/c1-18-14(4-6-19-7-5-14)13(17)9-10-2-3-11(15)12(16)8-10/h2-3,8,13H,4-7,9,17H2,1H3
InChIKeyMPNYXHXNVCUXPJ-UHFFFAOYSA-N
XLogP3.06
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine
CID 116765394
2-(4-chloro-3-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
CID 107885160
2-(4-bromo-2-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764303
2-(2-chloro-3-fluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764439
2-(3,4-dichlorophenyl)-1-(1-methylcyclohexyl)ethanamine
CID 106827645
2-(furan-2-yl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764399
2-(2,4-difluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764410
2-(2-bromophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764497
4-[2-amino-2-(4-ethoxyoxan-4-yl)ethyl]pyridin-2-amine
CID 116765534
1-(1-methoxycyclopentyl)-2-(4-methylphenyl)ethanamine
CID 104610637
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764431
2-(3-chlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
CID 116765000

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine (CID 116764414) is 2-(3,4-dichlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine is COC1(C(N)Cc2ccc(Cl)c(Cl)c2)CCOCC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine?
The InChIKey is MPNYXHXNVCUXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2/c1-18-14(4-6-19-7-5-14)13(17)9-10-2-3-11(15)12(16)8-10/h2-3,8,13H,4-7,9,17H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine?
2-(3,4-dichlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine has a molecular weight of 304.22 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine is sourced from PubChem (CID 116764414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).