2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]naphthalen-1-yl]ethanamine

C20H18F3NO — CID 67997712

IUPAC2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]naphthalen-1-yl]ethanamine
SMILESCOc1cc(C(F)(F)F)ccc1-c1cccc2c(CCN)cccc12
InChIInChI=1S/C20H18F3NO/c1-25-19-12-14(20(21,22)23)8-9-18(19)17-7-3-5-15-13(10-11-24)4-2-6-16(15)17/h2-9,12H,10-11,24H2,1H3
InChIKeyMZUQVUSZRVXYMB-UHFFFAOYSA-N
MW345.36 g/mol
LogP5.04
Rot. Bonds4

About 2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]naphthalen-1-yl]ethanamine

2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]naphthalen-1-yl]ethanamine (PubChem CID 67997712) has the molecular formula C20H18F3NO and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]naphthalen-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]naphthalen-1-yl]ethanamine
PubChem CID67997712
Molecular FormulaC20H18F3NO
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]naphthalen-1-yl]ethanamine
SMILESCOc1cc(C(F)(F)F)ccc1-c1cccc2c(CCN)cccc12
InChIInChI=1S/C20H18F3NO/c1-25-19-12-14(20(21,22)23)8-9-18(19)17-7-3-5-15-13(10-11-24)4-2-6-16(15)17/h2-9,12H,10-11,24H2,1H3
InChIKeyMZUQVUSZRVXYMB-UHFFFAOYSA-N
XLogP5.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.36
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methoxyphenanthrene
CID 43547
(6-Methoxy-2-naphthyl)-2-aminopropane
CID 18070083
6-Methoxy-1-naphthalenemethanamine
CID 44352202
N-[2-(3-phenyl-7-methoxynaphth-1-yl)ethyl] acetamide
CID 9818487
N-(4-Methoxy-2,3-dihydro-1H-phenalen-1-ylmethyl)-acetamide
CID 10199282
N-[2-(3-(3-Methoxymethylphenyl)-7-methoxynaphth-1-yl)ethyl]acetamide
CID 12985493
Multicaulin
CID 467782
N-[(4-methoxynaphthalen-1-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 27271164
(6-Methoxynaphthalen-2-yl)methanamine
CID 16227396
3-Methoxy-9-aminomethyl-9,10-dihydroanthracene
CID 25138699
4-Methoxy-9-aminomethyl-9,10-dihydroanthracene
CID 44580318
(6-Ethoxy-2-naphthyl)-2-aminopropane
CID 44590294

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]naphthalen-1-yl]ethanamine?
The IUPAC name of 2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]naphthalen-1-yl]ethanamine (CID 67997712) is 2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]naphthalen-1-yl]ethanamine.
What is the SMILES notation for 2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]naphthalen-1-yl]ethanamine?
The canonical SMILES for 2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]naphthalen-1-yl]ethanamine is COc1cc(C(F)(F)F)ccc1-c1cccc2c(CCN)cccc12.
What is the InChIKey of 2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]naphthalen-1-yl]ethanamine?
The InChIKey is MZUQVUSZRVXYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO/c1-25-19-12-14(20(21,22)23)8-9-18(19)17-7-3-5-15-13(10-11-24)4-2-6-16(15)17/h2-9,12H,10-11,24H2,1H3.
What are the key properties of 2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]naphthalen-1-yl]ethanamine?
2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]naphthalen-1-yl]ethanamine has a molecular weight of 345.36 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-methoxy-4-(trifluoromethyl)phenyl]naphthalen-1-yl]ethanamine is sourced from PubChem (CID 67997712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).