2-[5-chloro-3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethanamine;hydrochloride

C19H25Cl2NO3 — CID 23043952

IUPAC2-[5-chloro-3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethanamine;hydrochloride
SMILESCOc1cccc(CCc2c(CCN)cc(Cl)c(OC)c2OC)c1.Cl
InChIInChI=1S/C19H24ClNO3.ClH/c1-22-15-6-4-5-13(11-15)7-8-16-14(9-10-21)12-17(20)19(24-3)18(16)23-2;/h4-6,11-12H,7-10,21H2,1-3H3;1H
InChIKeyMDHLJPKNZUPMNI-UHFFFAOYSA-N
MW386.32 g/mol
LogP4.07
Rot. Bonds8

About 2-[5-chloro-3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethanamine;hydrochloride

2-[5-chloro-3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethanamine;hydrochloride (PubChem CID 23043952) has the molecular formula C19H25Cl2NO3 and a molecular weight of 386.32 g/mol. Its IUPAC name is 2-[5-chloro-3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[5-chloro-3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethanamine;hydrochloride
PubChem CID23043952
Molecular FormulaC19H25Cl2NO3
Molecular Weight386.32 g/mol
Exact Mass385.12
IUPAC Name2-[5-chloro-3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethanamine;hydrochloride
SMILESCOc1cccc(CCc2c(CCN)cc(Cl)c(OC)c2OC)c1.Cl
InChIInChI=1S/C19H24ClNO3.ClH/c1-22-15-6-4-5-13(11-15)7-8-16-14(9-10-21)12-17(20)19(24-3)18(16)23-2;/h4-6,11-12H,7-10,21H2,1-3H3;1H
InChIKeyMDHLJPKNZUPMNI-UHFFFAOYSA-N
XLogP4.07
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)ethanamine;tetrabromoplumbane
CID 175411262
3-methoxy-5-[2-(3-methoxyphenyl)ethyl]benzene-1,2,4-triol
CID 175822516
2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride
CID 11687211
4,6-bis[2-(3-methoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870856
2-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine
CID 95469549
benzaldehyde;2-(3-methoxyphenyl)ethanamine
CID 89401887
2-[3-(3-chlorophenoxy)phenyl]ethanamine
CID 63943128
1-methoxy-3-propylbenzene
CID 14270128
N-[2-[3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]-N-propylpropan-1-amine
CID 23043997
2-methoxy-4-(3-methoxyphenyl)butan-1-amine
CID 105463202
2-[5-chloro-2-(3-methoxyphenoxy)phenyl]ethanamine
CID 114862794
N'-[2-[3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]-N-[2-(3-methoxyphenyl)ethyl]hexane-1,6-diamine
CID 23044051

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethanamine;hydrochloride?
The IUPAC name of 2-[5-chloro-3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethanamine;hydrochloride (CID 23043952) is 2-[5-chloro-3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[5-chloro-3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethanamine;hydrochloride?
The canonical SMILES for 2-[5-chloro-3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethanamine;hydrochloride is COc1cccc(CCc2c(CCN)cc(Cl)c(OC)c2OC)c1.Cl.
What is the InChIKey of 2-[5-chloro-3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethanamine;hydrochloride?
The InChIKey is MDHLJPKNZUPMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO3.ClH/c1-22-15-6-4-5-13(11-15)7-8-16-14(9-10-21)12-17(20)19(24-3)18(16)23-2;/h4-6,11-12H,7-10,21H2,1-3H3;1H.
What are the key properties of 2-[5-chloro-3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethanamine;hydrochloride?
2-[5-chloro-3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethanamine;hydrochloride has a molecular weight of 386.32 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 23043952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).