2-[(1-naphthalen-2-ylethylamino)methyl]phenol

C19H19NO — CID 115602905

IUPAC2-[(1-naphthalen-2-ylethylamino)methyl]phenol
SMILESCC(NCc1ccccc1O)c1ccc2ccccc2c1
InChIInChI=1S/C19H19NO/c1-14(20-13-18-8-4-5-9-19(18)21)16-11-10-15-6-2-3-7-17(15)12-16/h2-12,14,20-21H,13H2,1H3
InChIKeyNELZFFPOHWTROE-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.40
Rot. Bonds4

About 2-[(1-naphthalen-2-ylethylamino)methyl]phenol

2-[(1-naphthalen-2-ylethylamino)methyl]phenol (PubChem CID 115602905) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[(1-naphthalen-2-ylethylamino)methyl]phenol.

Molecular Properties

Compound Name2-[(1-naphthalen-2-ylethylamino)methyl]phenol
PubChem CID115602905
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name2-[(1-naphthalen-2-ylethylamino)methyl]phenol
SMILESCC(NCc1ccccc1O)c1ccc2ccccc2c1
InChIInChI=1S/C19H19NO/c1-14(20-13-18-8-4-5-9-19(18)21)16-11-10-15-6-2-3-7-17(15)12-16/h2-12,14,20-21H,13H2,1H3
InChIKeyNELZFFPOHWTROE-UHFFFAOYSA-N
XLogP4.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1-phenylethylamino)methyl]phenol
CID 3669487
2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 28645228
2-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]phenol
CID 43694661
N-(1-naphthalen-2-ylethyl)but-2-yn-1-amine
CID 113341996
2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol
CID 43723801
1,5-dimethyl-4-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]pyrrole-2-carbonitrile
CID 41272010
2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol
CID 43722013
3-(1-naphthalen-2-ylethylamino)propanoic acid
CID 43087222
5-(1-naphthalen-2-ylethylamino)pentan-1-ol
CID 103912661
4-methoxy-2-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81368054
1-naphthalen-2-yl-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 79501678
N-(1-naphthalen-2-ylethyl)pentan-3-amine
CID 43100971

Frequently Asked Questions

What is the IUPAC name of 2-[(1-naphthalen-2-ylethylamino)methyl]phenol?
The IUPAC name of 2-[(1-naphthalen-2-ylethylamino)methyl]phenol (CID 115602905) is 2-[(1-naphthalen-2-ylethylamino)methyl]phenol.
What is the SMILES notation for 2-[(1-naphthalen-2-ylethylamino)methyl]phenol?
The canonical SMILES for 2-[(1-naphthalen-2-ylethylamino)methyl]phenol is CC(NCc1ccccc1O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[(1-naphthalen-2-ylethylamino)methyl]phenol?
The InChIKey is NELZFFPOHWTROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-14(20-13-18-8-4-5-9-19(18)21)16-11-10-15-6-2-3-7-17(15)12-16/h2-12,14,20-21H,13H2,1H3.
What are the key properties of 2-[(1-naphthalen-2-ylethylamino)methyl]phenol?
2-[(1-naphthalen-2-ylethylamino)methyl]phenol has a molecular weight of 277.37 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-naphthalen-2-ylethylamino)methyl]phenol is sourced from PubChem (CID 115602905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).