[2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfinylphenyl]methanol

C26H25NO2S — CID 101480064

IUPAC[2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfinylphenyl]methanol
SMILESC[C@@H](NCc1ccccc1S(=O)c1ccccc1CO)c1cccc2ccccc12
InChIInChI=1S/C26H25NO2S/c1-19(23-14-8-12-20-9-2-5-13-24(20)23)27-17-21-10-3-6-15-25(21)30(29)26-16-7-4-11-22(26)18-28/h2-16,19,27-28H,17-18H2,1H3/t19-,30?/m1/s1
InChIKeyAMYFYDWWDWUQMZ-HZRSZRRBSA-N
MW415.56 g/mol
LogP5.35
Rot. Bonds7

About [2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfinylphenyl]methanol

[2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfinylphenyl]methanol (PubChem CID 101480064) has the molecular formula C26H25NO2S and a molecular weight of 415.56 g/mol. Its IUPAC name is [2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfinylphenyl]methanol.

Molecular Properties

Compound Name[2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfinylphenyl]methanol
PubChem CID101480064
Molecular FormulaC26H25NO2S
Molecular Weight415.56 g/mol
Exact Mass415.16
IUPAC Name[2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfinylphenyl]methanol
SMILESC[C@@H](NCc1ccccc1S(=O)c1ccccc1CO)c1cccc2ccccc12
InChIInChI=1S/C26H25NO2S/c1-19(23-14-8-12-20-9-2-5-13-24(20)23)27-17-21-10-3-6-15-25(21)30(29)26-16-7-4-11-22(26)18-28/h2-16,19,27-28H,17-18H2,1H3/t19-,30?/m1/s1
InChIKeyAMYFYDWWDWUQMZ-HZRSZRRBSA-N
XLogP5.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.56
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfanylphenyl]methanol
CID 102221604
N-[(2-iodophenyl)methyl]-1-naphthalen-1-ylethanamine
CID 68766120
2-[(1S)-1-[2-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]anilino]ethyl]phenol
CID 71049454
[2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfanylphenyl]methyl acetate
CID 102221605
3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol
CID 28714573
N-[(2-fluoro-5-methylphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 143626004
N-[(4-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine
CID 43178671
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
3-methyl-1-(1-naphthalen-1-ylethylamino)butan-2-ol
CID 115677077
1-naphthalen-1-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62759136
(1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 30624473
(1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 30624665

Frequently Asked Questions

What is the IUPAC name of [2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfinylphenyl]methanol?
The IUPAC name of [2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfinylphenyl]methanol (CID 101480064) is [2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfinylphenyl]methanol.
What is the SMILES notation for [2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfinylphenyl]methanol?
The canonical SMILES for [2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfinylphenyl]methanol is C[C@@H](NCc1ccccc1S(=O)c1ccccc1CO)c1cccc2ccccc12.
What is the InChIKey of [2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfinylphenyl]methanol?
The InChIKey is AMYFYDWWDWUQMZ-HZRSZRRBSA-N. The full InChI is InChI=1S/C26H25NO2S/c1-19(23-14-8-12-20-9-2-5-13-24(20)23)27-17-21-10-3-6-15-25(21)30(29)26-16-7-4-11-22(26)18-28/h2-16,19,27-28H,17-18H2,1H3/t19-,30?/m1/s1.
What are the key properties of [2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfinylphenyl]methanol?
[2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfinylphenyl]methanol has a molecular weight of 415.56 g/mol, XLogP of 5.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfinylphenyl]methanol is sourced from PubChem (CID 101480064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).