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

C26H25NOS — CID 102221604

IUPAC[2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfanylphenyl]methanol
SMILESC[C@@H](NCc1ccccc1Sc1ccccc1CO)c1cccc2ccccc12
InChIInChI=1S/C26H25NOS/c1-19(23-14-8-12-20-9-2-5-13-24(20)23)27-17-21-10-3-6-15-25(21)29-26-16-7-4-11-22(26)18-28/h2-16,19,27-28H,17-18H2,1H3/t19-/m1/s1
InChIKeyRBIYGGCCJDJIAH-LJQANCHMSA-N
MW399.56 g/mol
LogP6.33
Rot. Bonds7

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

[2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfanylphenyl]methanol (PubChem CID 102221604) has the molecular formula C26H25NOS and a molecular weight of 399.56 g/mol. Its IUPAC name is [2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfanylphenyl]methanol.

Molecular Properties

Compound Name[2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfanylphenyl]methanol
PubChem CID102221604
Molecular FormulaC26H25NOS
Molecular Weight399.56 g/mol
Exact Mass399.17
IUPAC Name[2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfanylphenyl]methanol
SMILESC[C@@H](NCc1ccccc1Sc1ccccc1CO)c1cccc2ccccc12
InChIInChI=1S/C26H25NOS/c1-19(23-14-8-12-20-9-2-5-13-24(20)23)27-17-21-10-3-6-15-25(21)29-26-16-7-4-11-22(26)18-28/h2-16,19,27-28H,17-18H2,1H3/t19-/m1/s1
InChIKeyRBIYGGCCJDJIAH-LJQANCHMSA-N
XLogP6.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.56
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfanylphenyl]methanol with MolForge

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Related Compounds

[2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfanylphenyl]methyl acetate
CID 102221605
[2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfinylphenyl]methanol
CID 101480064
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
3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol
CID 28714573
(1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 30624665
N-[(2-fluoro-5-methylphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 143626004
N-[(4-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine
CID 43178671
3-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]prop-2-yn-1-ol
CID 59562837
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

Frequently Asked Questions

What is the IUPAC name of [2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfanylphenyl]methanol?
The IUPAC name of [2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfanylphenyl]methanol (CID 102221604) is [2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfanylphenyl]methanol.
What is the SMILES notation for [2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfanylphenyl]methanol?
The canonical SMILES for [2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfanylphenyl]methanol is C[C@@H](NCc1ccccc1Sc1ccccc1CO)c1cccc2ccccc12.
What is the InChIKey of [2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfanylphenyl]methanol?
The InChIKey is RBIYGGCCJDJIAH-LJQANCHMSA-N. The full InChI is InChI=1S/C26H25NOS/c1-19(23-14-8-12-20-9-2-5-13-24(20)23)27-17-21-10-3-6-15-25(21)29-26-16-7-4-11-22(26)18-28/h2-16,19,27-28H,17-18H2,1H3/t19-/m1/s1.
What are the key properties of [2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfanylphenyl]methanol?
[2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfanylphenyl]methanol has a molecular weight of 399.56 g/mol, XLogP of 6.33, 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]sulfanylphenyl]methanol is sourced from PubChem (CID 102221604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).