2-(4-methoxyphenyl)-N-[2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]ethanamine

C22H29NO3 — CID 139607499

IUPAC2-(4-methoxyphenyl)-N-[2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]ethanamine
SMILESCOc1ccc(CCNCCOc2ccc3c(c2OC)CCCC3)cc1
InChIInChI=1S/C22H29NO3/c1-24-19-10-7-17(8-11-19)13-14-23-15-16-26-21-12-9-18-5-3-4-6-20(18)22(21)25-2/h7-12,23H,3-6,13-16H2,1-2H3
InChIKeyIKQGEULIQVYNEQ-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.79
Rot. Bonds9

About 2-(4-methoxyphenyl)-N-[2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]ethanamine

2-(4-methoxyphenyl)-N-[2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]ethanamine (PubChem CID 139607499) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]ethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]ethanamine
PubChem CID139607499
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name2-(4-methoxyphenyl)-N-[2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]ethanamine
SMILESCOc1ccc(CCNCCOc2ccc3c(c2OC)CCCC3)cc1
InChIInChI=1S/C22H29NO3/c1-24-19-10-7-17(8-11-19)13-14-23-15-16-26-21-12-9-18-5-3-4-6-20(18)22(21)25-2/h7-12,23H,3-6,13-16H2,1-2H3
InChIKeyIKQGEULIQVYNEQ-UHFFFAOYSA-N
XLogP3.79
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-2-(4-methoxyphenyl)ethanamine
CID 43387940
N'-[(2S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[2-(4-methoxyphenyl)ethyl]-N'-propylhexane-1,6-diamine
CID 70065669
6-methoxy-1,2,3,4-tetrahydrophenanthrene
CID 14828207
N-[2-(2-chloroethoxy)ethyl]-2-(4-methoxyphenyl)ethanamine
CID 65446138
N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine
CID 23394676
N-(2-bromoethyl)-2-(4-methoxyphenyl)ethanamine
CID 114505272
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 106844226
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 65447103
2-[2-(4-methoxyphenyl)ethylamino]ethyl carbamate
CID 83210163
N'-[2-(4-methoxyphenyl)ethyl]methanediamine
CID 115226003
2-ethoxy-5-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]aniline
CID 95408677
1-[3-amino-4-methoxy-2-[[4-[2-(2-methoxyethylamino)ethoxy]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 67252121

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]ethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-N-[2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]ethanamine (CID 139607499) is 2-(4-methoxyphenyl)-N-[2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]ethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]ethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]ethanamine is COc1ccc(CCNCCOc2ccc3c(c2OC)CCCC3)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]ethanamine?
The InChIKey is IKQGEULIQVYNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-24-19-10-7-17(8-11-19)13-14-23-15-16-26-21-12-9-18-5-3-4-6-20(18)22(21)25-2/h7-12,23H,3-6,13-16H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-N-[2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]ethanamine?
2-(4-methoxyphenyl)-N-[2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]ethanamine has a molecular weight of 355.48 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]ethanamine is sourced from PubChem (CID 139607499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).