3,5-dimethyl-2-[2-[[[(1S)-1-phenylethyl]amino]methyl]naphthalen-1-yl]phenol

C27H27NO — CID 11257527

IUPAC3,5-dimethyl-2-[2-[[[(1S)-1-phenylethyl]amino]methyl]naphthalen-1-yl]phenol
SMILESCc1cc(C)c(-c2c(CN[C@@H](C)c3ccccc3)ccc3ccccc23)c(O)c1
InChIInChI=1S/C27H27NO/c1-18-15-19(2)26(25(29)16-18)27-23(14-13-22-11-7-8-12-24(22)27)17-28-20(3)21-9-5-4-6-10-21/h4-16,20,28-29H,17H2,1-3H3/t20-/m0/s1
InChIKeyRRBGSWBLTVAGBW-FQEVSTJZSA-N
MW381.52 g/mol
LogP6.68
Rot. Bonds5

About 3,5-dimethyl-2-[2-[[[(1S)-1-phenylethyl]amino]methyl]naphthalen-1-yl]phenol

3,5-dimethyl-2-[2-[[[(1S)-1-phenylethyl]amino]methyl]naphthalen-1-yl]phenol (PubChem CID 11257527) has the molecular formula C27H27NO and a molecular weight of 381.52 g/mol. Its IUPAC name is 3,5-dimethyl-2-[2-[[[(1S)-1-phenylethyl]amino]methyl]naphthalen-1-yl]phenol.

Molecular Properties

Compound Name3,5-dimethyl-2-[2-[[[(1S)-1-phenylethyl]amino]methyl]naphthalen-1-yl]phenol
PubChem CID11257527
Molecular FormulaC27H27NO
Molecular Weight381.52 g/mol
Exact Mass381.21
IUPAC Name3,5-dimethyl-2-[2-[[[(1S)-1-phenylethyl]amino]methyl]naphthalen-1-yl]phenol
SMILESCc1cc(C)c(-c2c(CN[C@@H](C)c3ccccc3)ccc3ccccc23)c(O)c1
InChIInChI=1S/C27H27NO/c1-18-15-19(2)26(25(29)16-18)27-23(14-13-22-11-7-8-12-24(22)27)17-28-20(3)21-9-5-4-6-10-21/h4-16,20,28-29H,17H2,1-3H3/t20-/m0/s1
InChIKeyRRBGSWBLTVAGBW-FQEVSTJZSA-N
XLogP6.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(tert-butylamino)methyl]naphthalen-1-yl]-3,5-dimethylphenol
CID 166439956
1-(2-hydroxy-4,6-dimethylphenyl)-N-[(1S)-1-phenylethyl]naphthalene-2-carboxamide
CID 100993738
1-[2-hydroxy-3-[[[(1R)-1-phenylethyl]amino]methyl]naphthalen-1-yl]-3-[[[(1R)-1-phenylethyl]amino]methyl]naphthalen-2-ol
CID 101363533
2-[(1-phenylethylamino)methyl]phenol
CID 3669487
N-[(2,5-dimethylphenyl)methyl]-1-phenylethanamine
CID 60684201
2-[(1-naphthalen-2-ylethylamino)methyl]phenol
CID 115602905
2-[(1S)-1-[[2-[(2,4,6-trimethylanilino)methyl]naphthalen-1-yl]amino]ethyl]phenol
CID 71049445
4-[[[(1R)-1-phenylethyl]amino]methyl]-2-[[[(1S)-1-phenylethyl]amino]methyl]phenol
CID 71178152
1-(2-hydroxy-4-methyl-6-propan-2-ylphenyl)naphthalen-2-ol
CID 58219550
1-(2-methoxy-4,6-dimethylphenyl)-N-(1-phenylethyl)naphthalene-2-carboxamide
CID 625828
(1R)-N-(isoquinolin-4-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 104503955
4-methyl-2-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 81360761

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[2-[[[(1S)-1-phenylethyl]amino]methyl]naphthalen-1-yl]phenol?
The IUPAC name of 3,5-dimethyl-2-[2-[[[(1S)-1-phenylethyl]amino]methyl]naphthalen-1-yl]phenol (CID 11257527) is 3,5-dimethyl-2-[2-[[[(1S)-1-phenylethyl]amino]methyl]naphthalen-1-yl]phenol.
What is the SMILES notation for 3,5-dimethyl-2-[2-[[[(1S)-1-phenylethyl]amino]methyl]naphthalen-1-yl]phenol?
The canonical SMILES for 3,5-dimethyl-2-[2-[[[(1S)-1-phenylethyl]amino]methyl]naphthalen-1-yl]phenol is Cc1cc(C)c(-c2c(CN[C@@H](C)c3ccccc3)ccc3ccccc23)c(O)c1.
What is the InChIKey of 3,5-dimethyl-2-[2-[[[(1S)-1-phenylethyl]amino]methyl]naphthalen-1-yl]phenol?
The InChIKey is RRBGSWBLTVAGBW-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H27NO/c1-18-15-19(2)26(25(29)16-18)27-23(14-13-22-11-7-8-12-24(22)27)17-28-20(3)21-9-5-4-6-10-21/h4-16,20,28-29H,17H2,1-3H3/t20-/m0/s1.
What are the key properties of 3,5-dimethyl-2-[2-[[[(1S)-1-phenylethyl]amino]methyl]naphthalen-1-yl]phenol?
3,5-dimethyl-2-[2-[[[(1S)-1-phenylethyl]amino]methyl]naphthalen-1-yl]phenol has a molecular weight of 381.52 g/mol, XLogP of 6.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[2-[[[(1S)-1-phenylethyl]amino]methyl]naphthalen-1-yl]phenol is sourced from PubChem (CID 11257527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).