2-[1-(1-phenylethylamino)propyl]phenol

C17H21NO — CID 43189917

IUPAC2-[1-(1-phenylethylamino)propyl]phenol
SMILESCCC(NC(C)c1ccccc1)c1ccccc1O
InChIInChI=1S/C17H21NO/c1-3-16(15-11-7-8-12-17(15)19)18-13(2)14-9-5-4-6-10-14/h4-13,16,18-19H,3H2,1-2H3
InChIKeyYXNNKVBZVYPWEI-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.19
Rot. Bonds5

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

2-[1-(1-phenylethylamino)propyl]phenol (PubChem CID 43189917) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[1-(1-phenylethylamino)propyl]phenol.

Molecular Properties

Compound Name2-[1-(1-phenylethylamino)propyl]phenol
PubChem CID43189917
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-[1-(1-phenylethylamino)propyl]phenol
SMILESCCC(NC(C)c1ccccc1)c1ccccc1O
InChIInChI=1S/C17H21NO/c1-3-16(15-11-7-8-12-17(15)19)18-13(2)14-9-5-4-6-10-14/h4-13,16,18-19H,3H2,1-2H3
InChIKeyYXNNKVBZVYPWEI-UHFFFAOYSA-N
XLogP4.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.19
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-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 81356961
2-[1-[1-(4-fluorophenyl)ethylamino]propyl]phenol
CID 43201977
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol
CID 43680009
2-[(1S)-1-[[(1R)-1-phenylethyl]amino]but-3-enyl]phenol
CID 101211094
2-[1-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propyl]phenol
CID 81377530
2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol
CID 114983222
1-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43712916
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81351883
1-(4-bromophenyl)-N-[(1S)-1-phenylethyl]propan-1-amine
CID 81350927
1-(4-bromophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81350988
2-[1-(methylamino)propyl]phenol
CID 12862798

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-phenylethylamino)propyl]phenol?
The IUPAC name of 2-[1-(1-phenylethylamino)propyl]phenol (CID 43189917) is 2-[1-(1-phenylethylamino)propyl]phenol.
What is the SMILES notation for 2-[1-(1-phenylethylamino)propyl]phenol?
The canonical SMILES for 2-[1-(1-phenylethylamino)propyl]phenol is CCC(NC(C)c1ccccc1)c1ccccc1O.
What is the InChIKey of 2-[1-(1-phenylethylamino)propyl]phenol?
The InChIKey is YXNNKVBZVYPWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-16(15-11-7-8-12-17(15)19)18-13(2)14-9-5-4-6-10-14/h4-13,16,18-19H,3H2,1-2H3.
What are the key properties of 2-[1-(1-phenylethylamino)propyl]phenol?
2-[1-(1-phenylethylamino)propyl]phenol has a molecular weight of 255.36 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-phenylethylamino)propyl]phenol is sourced from PubChem (CID 43189917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).