1-amino-3-(2-methylphenyl)-2-[(2-methylphenyl)methyl]-1-naphthalen-1-ylpropan-2-ol

C28H29NO — CID 23091401

IUPAC1-amino-3-(2-methylphenyl)-2-[(2-methylphenyl)methyl]-1-naphthalen-1-ylpropan-2-ol
SMILESCc1ccccc1CC(O)(Cc1ccccc1C)C(N)c1cccc2ccccc12
InChIInChI=1S/C28H29NO/c1-20-10-3-5-13-23(20)18-28(30,19-24-14-6-4-11-21(24)2)27(29)26-17-9-15-22-12-7-8-16-25(22)26/h3-17,27,30H,18-19,29H2,1-2H3
InChIKeyZLUUCPSHLSWZSO-UHFFFAOYSA-N
MW395.55 g/mol
LogP5.67
Rot. Bonds6

About 1-amino-3-(2-methylphenyl)-2-[(2-methylphenyl)methyl]-1-naphthalen-1-ylpropan-2-ol

1-amino-3-(2-methylphenyl)-2-[(2-methylphenyl)methyl]-1-naphthalen-1-ylpropan-2-ol (PubChem CID 23091401) has the molecular formula C28H29NO and a molecular weight of 395.55 g/mol. Its IUPAC name is 1-amino-3-(2-methylphenyl)-2-[(2-methylphenyl)methyl]-1-naphthalen-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2-methylphenyl)-2-[(2-methylphenyl)methyl]-1-naphthalen-1-ylpropan-2-ol
PubChem CID23091401
Molecular FormulaC28H29NO
Molecular Weight395.55 g/mol
Exact Mass395.22
IUPAC Name1-amino-3-(2-methylphenyl)-2-[(2-methylphenyl)methyl]-1-naphthalen-1-ylpropan-2-ol
SMILESCc1ccccc1CC(O)(Cc1ccccc1C)C(N)c1cccc2ccccc12
InChIInChI=1S/C28H29NO/c1-20-10-3-5-13-23(20)18-28(30,19-24-14-6-4-11-21(24)2)27(29)26-17-9-15-22-12-7-8-16-25(22)26/h3-17,27,30H,18-19,29H2,1-2H3
InChIKeyZLUUCPSHLSWZSO-UHFFFAOYSA-N
XLogP5.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-1,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propan-2-ol
CID 23091538
N,N'-bis[(1S)-2-hydroxy-3-(2-methylphenyl)-2-[(2-methylphenyl)methyl]-1-naphthalen-1-ylpropyl]propanediamide
CID 66807729
1-amino-2-methyl-1-naphthalen-1-ylpropan-2-ol
CID 23091320
(2R)-2-amino-2-naphthalen-1-yl-1,1-diphenylethanol
CID 66807943
2,2,2-trichloro-1-naphthalen-1-ylethanamine
CID 101218530
naphthalen-1-yl-(2,4,5-trimethylphenyl)methanamine
CID 64990309
N-[(2-methylphenyl)methyl]-2-(1-naphthalen-1-ylethylamino)propanamide
CID 112811629
N,N'-bis[2-hydroxy-3,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]propanediamide
CID 87435570
(1R)-2,2,3,3,3-pentafluoro-1-naphthalen-1-ylpropan-1-amine;hydrochloride
CID 171312597
(1R,2S)-1-amino-1-naphthalen-1-ylbutan-2-ol
CID 171161126
1-[2,2,2-trichloro-1-(2-methylphenyl)ethyl]naphthalene
CID 71370603
3-(methylamino)-1-naphthalen-1-ylpropane-1,2-diol
CID 171858135

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-methylphenyl)-2-[(2-methylphenyl)methyl]-1-naphthalen-1-ylpropan-2-ol?
The IUPAC name of 1-amino-3-(2-methylphenyl)-2-[(2-methylphenyl)methyl]-1-naphthalen-1-ylpropan-2-ol (CID 23091401) is 1-amino-3-(2-methylphenyl)-2-[(2-methylphenyl)methyl]-1-naphthalen-1-ylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(2-methylphenyl)-2-[(2-methylphenyl)methyl]-1-naphthalen-1-ylpropan-2-ol?
The canonical SMILES for 1-amino-3-(2-methylphenyl)-2-[(2-methylphenyl)methyl]-1-naphthalen-1-ylpropan-2-ol is Cc1ccccc1CC(O)(Cc1ccccc1C)C(N)c1cccc2ccccc12.
What is the InChIKey of 1-amino-3-(2-methylphenyl)-2-[(2-methylphenyl)methyl]-1-naphthalen-1-ylpropan-2-ol?
The InChIKey is ZLUUCPSHLSWZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO/c1-20-10-3-5-13-23(20)18-28(30,19-24-14-6-4-11-21(24)2)27(29)26-17-9-15-22-12-7-8-16-25(22)26/h3-17,27,30H,18-19,29H2,1-2H3.
What are the key properties of 1-amino-3-(2-methylphenyl)-2-[(2-methylphenyl)methyl]-1-naphthalen-1-ylpropan-2-ol?
1-amino-3-(2-methylphenyl)-2-[(2-methylphenyl)methyl]-1-naphthalen-1-ylpropan-2-ol has a molecular weight of 395.55 g/mol, XLogP of 5.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-methylphenyl)-2-[(2-methylphenyl)methyl]-1-naphthalen-1-ylpropan-2-ol is sourced from PubChem (CID 23091401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).