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

C17H15NO — CID 13418576

IUPAC4-[(naphthalen-2-ylamino)methyl]phenol
SMILESOc1ccc(CNc2ccc3ccccc3c2)cc1
InChIInChI=1S/C17H15NO/c19-17-9-5-13(6-10-17)12-18-16-8-7-14-3-1-2-4-15(14)11-16/h1-11,18-19H,12H2
InChIKeyNTYCFSJLXUCNJM-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.16
Rot. Bonds3

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

4-[(naphthalen-2-ylamino)methyl]phenol (PubChem CID 13418576) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[(naphthalen-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name4-[(naphthalen-2-ylamino)methyl]phenol
PubChem CID13418576
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name4-[(naphthalen-2-ylamino)methyl]phenol
SMILESOc1ccc(CNc2ccc3ccccc3c2)cc1
InChIInChI=1S/C17H15NO/c19-17-9-5-13(6-10-17)12-18-16-8-7-14-3-1-2-4-15(14)11-16/h1-11,18-19H,12H2
InChIKeyNTYCFSJLXUCNJM-UHFFFAOYSA-N
XLogP4.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(naphthalen-2-ylamino)methyl]phenol
CID 43680286
N-[(4-chlorophenyl)methyl]naphthalen-2-amine
CID 13418586
4-(benzylamino)phenol;hydrochloride
CID 16738613
4-[(1-benzothiophen-5-ylamino)methyl]phenol
CID 43687694
N-(1H-pyrazol-4-ylmethyl)naphthalen-2-amine
CID 62022596
N-[[3-(aminomethyl)phenyl]methyl]naphthalen-2-amine
CID 115212943
N-[(4-bromo-3-methylphenyl)methyl]naphthalen-2-amine
CID 66475011
N-[(3-bromo-4-fluorophenyl)methyl]naphthalen-2-amine
CID 43533079
4-bromo-3-fluoro-N-(naphthalen-2-ylmethyl)aniline
CID 65437656
N-[[6-[(naphthalen-2-ylamino)methyl]-2-pyridinyl]methyl]naphthalen-2-amine
CID 21130226
4-[(4-amino-3-methylanilino)methyl]phenol
CID 23437192
3-[(naphthalen-2-ylamino)methyl]benzamide
CID 43533069

Frequently Asked Questions

What is the IUPAC name of 4-[(naphthalen-2-ylamino)methyl]phenol?
The IUPAC name of 4-[(naphthalen-2-ylamino)methyl]phenol (CID 13418576) is 4-[(naphthalen-2-ylamino)methyl]phenol.
What is the SMILES notation for 4-[(naphthalen-2-ylamino)methyl]phenol?
The canonical SMILES for 4-[(naphthalen-2-ylamino)methyl]phenol is Oc1ccc(CNc2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-[(naphthalen-2-ylamino)methyl]phenol?
The InChIKey is NTYCFSJLXUCNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c19-17-9-5-13(6-10-17)12-18-16-8-7-14-3-1-2-4-15(14)11-16/h1-11,18-19H,12H2.
What are the key properties of 4-[(naphthalen-2-ylamino)methyl]phenol?
4-[(naphthalen-2-ylamino)methyl]phenol has a molecular weight of 249.31 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(naphthalen-2-ylamino)methyl]phenol is sourced from PubChem (CID 13418576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).