2-[5-(2-aminoethyl)naphthalen-1-yl]-5-(trifluoromethyl)phenol

C19H16F3NO — CID 71574709

IUPAC2-[5-(2-aminoethyl)naphthalen-1-yl]-5-(trifluoromethyl)phenol
SMILESNCCc1cccc2c(-c3ccc(C(F)(F)F)cc3O)cccc12
InChIInChI=1S/C19H16F3NO/c20-19(21,22)13-7-8-17(18(24)11-13)16-6-2-4-14-12(9-10-23)3-1-5-15(14)16/h1-8,11,24H,9-10,23H2
InChIKeyMJDMYDCQNSIPBM-UHFFFAOYSA-N
MW331.34 g/mol
LogP4.73
Rot. Bonds3

About 2-[5-(2-aminoethyl)naphthalen-1-yl]-5-(trifluoromethyl)phenol

2-[5-(2-aminoethyl)naphthalen-1-yl]-5-(trifluoromethyl)phenol (PubChem CID 71574709) has the molecular formula C19H16F3NO and a molecular weight of 331.34 g/mol. Its IUPAC name is 2-[5-(2-aminoethyl)naphthalen-1-yl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[5-(2-aminoethyl)naphthalen-1-yl]-5-(trifluoromethyl)phenol
PubChem CID71574709
Molecular FormulaC19H16F3NO
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name2-[5-(2-aminoethyl)naphthalen-1-yl]-5-(trifluoromethyl)phenol
SMILESNCCc1cccc2c(-c3ccc(C(F)(F)F)cc3O)cccc12
InChIInChI=1S/C19H16F3NO/c20-19(21,22)13-7-8-17(18(24)11-13)16-6-2-4-14-12(9-10-23)3-1-5-15(14)16/h1-8,11,24H,9-10,23H2
InChIKeyMJDMYDCQNSIPBM-UHFFFAOYSA-N
XLogP4.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Benzyl-1-naphthol
CID 160268
1-Hydroxyphenanthrene
CID 98490
4-Hydroxyphenanthrene
CID 82105
1-(Aminomethyl)naphthalen-2-ol
CID 241200
6-(3-Hydroxyphenyl)-1-naphthol
CID 11447703
1-Anthracenol
CID 123077
6-(4-Hydroxy-3-(trifluoromethyl)phenyl)-1-naphthol
CID 56643459
2-(4-Fluorobenzyl)-1-naphthol
CID 10243916
3-Benzyl-naphthalen-1-ol
CID 11139055
2-(3-Trifluoromethyl-benzyl)-naphthalen-1-ol
CID 15617859
2-Benzyl-5,8-dimethyl-naphthalen-1-ol
CID 15617883
2-[(4-Methylphenyl)methyl]naphthalen-1-ol
CID 20453519

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminoethyl)naphthalen-1-yl]-5-(trifluoromethyl)phenol?
The IUPAC name of 2-[5-(2-aminoethyl)naphthalen-1-yl]-5-(trifluoromethyl)phenol (CID 71574709) is 2-[5-(2-aminoethyl)naphthalen-1-yl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[5-(2-aminoethyl)naphthalen-1-yl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-[5-(2-aminoethyl)naphthalen-1-yl]-5-(trifluoromethyl)phenol is NCCc1cccc2c(-c3ccc(C(F)(F)F)cc3O)cccc12.
What is the InChIKey of 2-[5-(2-aminoethyl)naphthalen-1-yl]-5-(trifluoromethyl)phenol?
The InChIKey is MJDMYDCQNSIPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO/c20-19(21,22)13-7-8-17(18(24)11-13)16-6-2-4-14-12(9-10-23)3-1-5-15(14)16/h1-8,11,24H,9-10,23H2.
What are the key properties of 2-[5-(2-aminoethyl)naphthalen-1-yl]-5-(trifluoromethyl)phenol?
2-[5-(2-aminoethyl)naphthalen-1-yl]-5-(trifluoromethyl)phenol has a molecular weight of 331.34 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminoethyl)naphthalen-1-yl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 71574709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).