4-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenol

C20H21NO — CID 156612931

IUPAC4-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenol
SMILESC[C@H](c1cccc2ccccc12)N(C)Cc1ccc(O)cc1
InChIInChI=1S/C20H21NO/c1-15(21(2)14-16-10-12-18(22)13-11-16)19-9-5-7-17-6-3-4-8-20(17)19/h3-13,15,22H,14H2,1-2H3/t15-/m1/s1
InChIKeyQFTKMDZKABQMHI-OAHLLOKOSA-N
MW291.39 g/mol
LogP4.74
Rot. Bonds4

About 4-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenol

4-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenol (PubChem CID 156612931) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenol.

Molecular Properties

Compound Name4-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenol
PubChem CID156612931
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name4-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenol
SMILESC[C@H](c1cccc2ccccc12)N(C)Cc1ccc(O)cc1
InChIInChI=1S/C20H21NO/c1-15(21(2)14-16-10-12-18(22)13-11-16)19-9-5-7-17-6-3-4-8-20(17)19/h3-13,15,22H,14H2,1-2H3/t15-/m1/s1
InChIKeyQFTKMDZKABQMHI-OAHLLOKOSA-N
XLogP4.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenol?
The IUPAC name of 4-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenol (CID 156612931) is 4-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenol.
What is the SMILES notation for 4-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenol?
The canonical SMILES for 4-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenol is C[C@H](c1cccc2ccccc12)N(C)Cc1ccc(O)cc1.
What is the InChIKey of 4-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenol?
The InChIKey is QFTKMDZKABQMHI-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21NO/c1-15(21(2)14-16-10-12-18(22)13-11-16)19-9-5-7-17-6-3-4-8-20(17)19/h3-13,15,22H,14H2,1-2H3/t15-/m1/s1.
What are the key properties of 4-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenol?
4-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenol has a molecular weight of 291.39 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenol is sourced from PubChem (CID 156612931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).