4-[2-[(4-methylphenyl)methylamino]propyl]phenol

C17H21NO — CID 78943624

IUPAC4-[2-[(4-methylphenyl)methylamino]propyl]phenol
SMILESCc1ccc(CNC(C)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C17H21NO/c1-13-3-5-16(6-4-13)12-18-14(2)11-15-7-9-17(19)10-8-15/h3-10,14,18-19H,11-12H2,1-2H3
InChIKeyOPLDUMHHKPPTAT-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.42
Rot. Bonds5

About 4-[2-[(4-methylphenyl)methylamino]propyl]phenol

4-[2-[(4-methylphenyl)methylamino]propyl]phenol (PubChem CID 78943624) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-[2-[(4-methylphenyl)methylamino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[(4-methylphenyl)methylamino]propyl]phenol
PubChem CID78943624
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name4-[2-[(4-methylphenyl)methylamino]propyl]phenol
SMILESCc1ccc(CNC(C)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C17H21NO/c1-13-3-5-16(6-4-13)12-18-14(2)11-15-7-9-17(19)10-8-15/h3-10,14,18-19H,11-12H2,1-2H3
InChIKeyOPLDUMHHKPPTAT-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
4-[2-(benzylamino)propyl]phenol;hydrobromide
CID 54609236
4-[3-[(4-methylphenyl)methylamino]butyl]phenol
CID 43196100
4-[2-[[4-(dimethylamino)phenyl]methylamino]propyl]phenol
CID 78942237
4-[(1-hydroxypropan-2-ylamino)methyl]phenol
CID 43499774
4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 115494469
4-[2-[(5-methylfuran-2-yl)methylamino]propyl]phenol
CID 78943399
4-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]phenol
CID 60943467
4-[2-[(1-methylpyrazol-4-yl)methylamino]propyl]phenol
CID 78943311
4-[2-(3-methylbutylamino)propyl]phenol
CID 115493888
4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol
CID 43432836
4-[1-(4-methylphenyl)propan-2-ylamino]butan-2-ol
CID 115720232

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-methylphenyl)methylamino]propyl]phenol?
The IUPAC name of 4-[2-[(4-methylphenyl)methylamino]propyl]phenol (CID 78943624) is 4-[2-[(4-methylphenyl)methylamino]propyl]phenol.
What is the SMILES notation for 4-[2-[(4-methylphenyl)methylamino]propyl]phenol?
The canonical SMILES for 4-[2-[(4-methylphenyl)methylamino]propyl]phenol is Cc1ccc(CNC(C)Cc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-[(4-methylphenyl)methylamino]propyl]phenol?
The InChIKey is OPLDUMHHKPPTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-3-5-16(6-4-13)12-18-14(2)11-15-7-9-17(19)10-8-15/h3-10,14,18-19H,11-12H2,1-2H3.
What are the key properties of 4-[2-[(4-methylphenyl)methylamino]propyl]phenol?
4-[2-[(4-methylphenyl)methylamino]propyl]phenol has a molecular weight of 255.36 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-methylphenyl)methylamino]propyl]phenol is sourced from PubChem (CID 78943624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).