(1R)-N-[1-[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]ethyl]-1-(3-methoxyphenyl)ethanamine

C31H33FN2O2 — CID 122422162

IUPAC(1R)-N-[1-[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]ethyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@@H](C)NC(C)c2cc(-c3cc(F)cc(N4CCOCC4)c3)c3ccccc3c2)c1
InChIInChI=1S/C31H33FN2O2/c1-21(23-8-6-9-29(18-23)35-3)33-22(2)25-15-24-7-4-5-10-30(24)31(19-25)26-16-27(32)20-28(17-26)34-11-13-36-14-12-34/h4-10,15-22,33H,11-14H2,1-3H3/t21-,22?/m1/s1
InChIKeyOYPNMTHECHGIPI-ZMFCMNQTSA-N
MW484.62 g/mol
LogP6.90
Rot. Bonds7

About (1R)-N-[1-[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]ethyl]-1-(3-methoxyphenyl)ethanamine

(1R)-N-[1-[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]ethyl]-1-(3-methoxyphenyl)ethanamine (PubChem CID 122422162) has the molecular formula C31H33FN2O2 and a molecular weight of 484.62 g/mol. Its IUPAC name is (1R)-N-[1-[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]ethyl]-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[1-[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]ethyl]-1-(3-methoxyphenyl)ethanamine
PubChem CID122422162
Molecular FormulaC31H33FN2O2
Molecular Weight484.62 g/mol
Exact Mass484.25
IUPAC Name(1R)-N-[1-[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]ethyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@@H](C)NC(C)c2cc(-c3cc(F)cc(N4CCOCC4)c3)c3ccccc3c2)c1
InChIInChI=1S/C31H33FN2O2/c1-21(23-8-6-9-29(18-23)35-3)33-22(2)25-15-24-7-4-5-10-30(24)31(19-25)26-16-27(32)20-28(17-26)34-11-13-36-14-12-34/h4-10,15-22,33H,11-14H2,1-3H3/t21-,22?/m1/s1
InChIKeyOYPNMTHECHGIPI-ZMFCMNQTSA-N
XLogP6.90
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.62
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-N-[1-[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]ethyl]-1-(3-methoxyphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]ethyl]-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-N-[1-[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]ethyl]-1-(3-methoxyphenyl)ethanamine (CID 122422162) is (1R)-N-[1-[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]ethyl]-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[1-[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]ethyl]-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-N-[1-[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]ethyl]-1-(3-methoxyphenyl)ethanamine is COc1cccc([C@@H](C)NC(C)c2cc(-c3cc(F)cc(N4CCOCC4)c3)c3ccccc3c2)c1.
What is the InChIKey of (1R)-N-[1-[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]ethyl]-1-(3-methoxyphenyl)ethanamine?
The InChIKey is OYPNMTHECHGIPI-ZMFCMNQTSA-N. The full InChI is InChI=1S/C31H33FN2O2/c1-21(23-8-6-9-29(18-23)35-3)33-22(2)25-15-24-7-4-5-10-30(24)31(19-25)26-16-27(32)20-28(17-26)34-11-13-36-14-12-34/h4-10,15-22,33H,11-14H2,1-3H3/t21-,22?/m1/s1.
What are the key properties of (1R)-N-[1-[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]ethyl]-1-(3-methoxyphenyl)ethanamine?
(1R)-N-[1-[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]ethyl]-1-(3-methoxyphenyl)ethanamine has a molecular weight of 484.62 g/mol, XLogP of 6.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]ethyl]-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 122422162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).