2-[(1-phenylethylamino)methyl]phenol

C15H17NO — CID 3669487

IUPAC2-[(1-phenylethylamino)methyl]phenol
SMILESCC(NCc1ccccc1O)c1ccccc1
InChIInChI=1S/C15H17NO/c1-12(13-7-3-2-4-8-13)16-11-14-9-5-6-10-15(14)17/h2-10,12,16-17H,11H2,1H3
InChIKeyBYIZBEHMSPRAPK-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.24
Rot. Bonds4

About 2-[(1-phenylethylamino)methyl]phenol

2-[(1-phenylethylamino)methyl]phenol (PubChem CID 3669487) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[(1-phenylethylamino)methyl]phenol.

Molecular Properties

Compound Name2-[(1-phenylethylamino)methyl]phenol
PubChem CID3669487
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-[(1-phenylethylamino)methyl]phenol
SMILESCC(NCc1ccccc1O)c1ccccc1
InChIInChI=1S/C15H17NO/c1-12(13-7-3-2-4-8-13)16-11-14-9-5-6-10-15(14)17/h2-10,12,16-17H,11H2,1H3
InChIKeyBYIZBEHMSPRAPK-UHFFFAOYSA-N
XLogP3.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.24
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-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 28645228
4-[[[(1R)-1-phenylethyl]amino]methyl]-2-[[[(1S)-1-phenylethyl]amino]methyl]phenol
CID 71178152
N-[(2-chlorophenyl)methyl]-1-phenylethanamine
CID 2757411
2-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol;hydrochloride
CID 51117351
2-[(1-naphthalen-2-ylethylamino)methyl]phenol
CID 115602905
2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenyl]propan-2-ol
CID 70834223
N-[4-hydroxy-3-[[[(1S)-1-phenylethyl]amino]methyl]phenyl]acetamide
CID 125464014
2-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]phenol
CID 43694661
2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol
CID 43723801
2-[(1-phenylpropylamino)methyl]phenol
CID 62305715
2-ethoxy-6-[(1-phenylethylamino)methyl]phenol
CID 43189900
N-[4-[1-[(2-hydroxyphenyl)methylamino]ethyl]phenyl]propanamide
CID 47091161

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylethylamino)methyl]phenol?
The IUPAC name of 2-[(1-phenylethylamino)methyl]phenol (CID 3669487) is 2-[(1-phenylethylamino)methyl]phenol.
What is the SMILES notation for 2-[(1-phenylethylamino)methyl]phenol?
The canonical SMILES for 2-[(1-phenylethylamino)methyl]phenol is CC(NCc1ccccc1O)c1ccccc1.
What is the InChIKey of 2-[(1-phenylethylamino)methyl]phenol?
The InChIKey is BYIZBEHMSPRAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-12(13-7-3-2-4-8-13)16-11-14-9-5-6-10-15(14)17/h2-10,12,16-17H,11H2,1H3.
What are the key properties of 2-[(1-phenylethylamino)methyl]phenol?
2-[(1-phenylethylamino)methyl]phenol has a molecular weight of 227.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylethylamino)methyl]phenol is sourced from PubChem (CID 3669487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).