2-[1-(benzylamino)ethyl]phenol

C15H17NO — CID 2731803

IUPAC2-[1-(benzylamino)ethyl]phenol
SMILESCC(NCc1ccccc1)c1ccccc1O
InChIInChI=1S/C15H17NO/c1-12(14-9-5-6-10-15(14)17)16-11-13-7-3-2-4-8-13/h2-10,12,16-17H,11H2,1H3
InChIKeyFBTVDHXMECQFOR-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.24
Rot. Bonds4

About 2-[1-(benzylamino)ethyl]phenol

2-[1-(benzylamino)ethyl]phenol (PubChem CID 2731803) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[1-(benzylamino)ethyl]phenol.

Molecular Properties

Compound Name2-[1-(benzylamino)ethyl]phenol
PubChem CID2731803
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-[1-(benzylamino)ethyl]phenol
SMILESCC(NCc1ccccc1)c1ccccc1O
InChIInChI=1S/C15H17NO/c1-12(14-9-5-6-10-15(14)17)16-11-13-7-3-2-4-8-13/h2-10,12,16-17H,11H2,1H3
InChIKeyFBTVDHXMECQFOR-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

(+-)-Pholedrine
CID 4655
2-(Aminomethyl)phenol
CID 70267
N,N-bis[2-hydroxybenzyl]amine
CID 230856
Alpha-(meta-toluidino)-ortho-cresol
CID 3236648
Alpha-(para-toluidino)-ortho-cresol
CID 4114014
2-{[(1-Phenylethyl)amino]methyl}phenol
CID 3669487
2-((Dimethylamino)methyl)phenol
CID 32897
2-(2-(Methylamino)propyl)phenol
CID 11405
2-[(Butylamino)methyl]phenol
CID 487839
4-[(2S)-2-(methylamino)propyl]phenol
CID 158815
4-[2-(3-Phenyl-propylamino)-ethyl]-phenol
CID 10565541
4-[2-(4-Phenyl-butylamino)-ethyl]-phenol
CID 10707108

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzylamino)ethyl]phenol?
The IUPAC name of 2-[1-(benzylamino)ethyl]phenol (CID 2731803) is 2-[1-(benzylamino)ethyl]phenol.
What is the SMILES notation for 2-[1-(benzylamino)ethyl]phenol?
The canonical SMILES for 2-[1-(benzylamino)ethyl]phenol is CC(NCc1ccccc1)c1ccccc1O.
What is the InChIKey of 2-[1-(benzylamino)ethyl]phenol?
The InChIKey is FBTVDHXMECQFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-12(14-9-5-6-10-15(14)17)16-11-13-7-3-2-4-8-13/h2-10,12,16-17H,11H2,1H3.
What are the key properties of 2-[1-(benzylamino)ethyl]phenol?
2-[1-(benzylamino)ethyl]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-(benzylamino)ethyl]phenol is sourced from PubChem (CID 2731803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).