4-[(1-naphthalen-1-ylpropan-2-ylamino)methyl]phenol

C20H21NO — CID 129056722

IUPAC4-[(1-naphthalen-1-ylpropan-2-ylamino)methyl]phenol
SMILESCC(Cc1cccc2ccccc12)NCc1ccc(O)cc1
InChIInChI=1S/C20H21NO/c1-15(21-14-16-9-11-19(22)12-10-16)13-18-7-4-6-17-5-2-3-8-20(17)18/h2-12,15,21-22H,13-14H2,1H3
InChIKeyZQHZZGAHHPSFPW-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.27
Rot. Bonds5

About 4-[(1-naphthalen-1-ylpropan-2-ylamino)methyl]phenol

4-[(1-naphthalen-1-ylpropan-2-ylamino)methyl]phenol (PubChem CID 129056722) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[(1-naphthalen-1-ylpropan-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name4-[(1-naphthalen-1-ylpropan-2-ylamino)methyl]phenol
PubChem CID129056722
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name4-[(1-naphthalen-1-ylpropan-2-ylamino)methyl]phenol
SMILESCC(Cc1cccc2ccccc12)NCc1ccc(O)cc1
InChIInChI=1S/C20H21NO/c1-15(21-14-16-9-11-19(22)12-10-16)13-18-7-4-6-17-5-2-3-8-20(17)18/h2-12,15,21-22H,13-14H2,1H3
InChIKeyZQHZZGAHHPSFPW-UHFFFAOYSA-N
XLogP4.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(benzylamino)propyl]phenol;hydrobromide
CID 54609236
4-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]phenol
CID 60943467
5-[(1S)-1-hydroxy-2-[[(2R)-1-naphthalen-1-ylpropan-2-yl]amino]ethyl]benzene-1,3-diol
CID 16736096
(2R)-N-methyl-1-naphthalen-1-ylpropan-2-amine
CID 142942326
2-(naphthalen-1-ylmethylamino)propan-1-ol
CID 43499773
4-[2-[(4-methylphenyl)methylamino]propyl]phenol
CID 78943624
4-(aminomethyl)phenol;1-naphthalen-2-ylpropan-2-one;4-[(1-naphthalen-2-ylpropan-2-ylamino)methyl]phenol
CID 157171471
4-[(1-hydroxypropan-2-ylamino)methyl]phenol
CID 43499774
4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol
CID 43432836
4-[2-[[4-(dimethylamino)phenyl]methylamino]propyl]phenol
CID 78942237
1-(2-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine
CID 60943980

Frequently Asked Questions

What is the IUPAC name of 4-[(1-naphthalen-1-ylpropan-2-ylamino)methyl]phenol?
The IUPAC name of 4-[(1-naphthalen-1-ylpropan-2-ylamino)methyl]phenol (CID 129056722) is 4-[(1-naphthalen-1-ylpropan-2-ylamino)methyl]phenol.
What is the SMILES notation for 4-[(1-naphthalen-1-ylpropan-2-ylamino)methyl]phenol?
The canonical SMILES for 4-[(1-naphthalen-1-ylpropan-2-ylamino)methyl]phenol is CC(Cc1cccc2ccccc12)NCc1ccc(O)cc1.
What is the InChIKey of 4-[(1-naphthalen-1-ylpropan-2-ylamino)methyl]phenol?
The InChIKey is ZQHZZGAHHPSFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-15(21-14-16-9-11-19(22)12-10-16)13-18-7-4-6-17-5-2-3-8-20(17)18/h2-12,15,21-22H,13-14H2,1H3.
What are the key properties of 4-[(1-naphthalen-1-ylpropan-2-ylamino)methyl]phenol?
4-[(1-naphthalen-1-ylpropan-2-ylamino)methyl]phenol has a molecular weight of 291.39 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-naphthalen-1-ylpropan-2-ylamino)methyl]phenol is sourced from PubChem (CID 129056722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).