4-methyl-2-[(1-phenylpropylamino)methyl]phenol

C17H21NO — CID 55206089

IUPAC4-methyl-2-[(1-phenylpropylamino)methyl]phenol
SMILESCCC(NCc1cc(C)ccc1O)c1ccccc1
InChIInChI=1S/C17H21NO/c1-3-16(14-7-5-4-6-8-14)18-12-15-11-13(2)9-10-17(15)19/h4-11,16,18-19H,3,12H2,1-2H3
InChIKeyFMERCNGCENDTDP-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.94
Rot. Bonds5

About 4-methyl-2-[(1-phenylpropylamino)methyl]phenol

4-methyl-2-[(1-phenylpropylamino)methyl]phenol (PubChem CID 55206089) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-methyl-2-[(1-phenylpropylamino)methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[(1-phenylpropylamino)methyl]phenol
PubChem CID55206089
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name4-methyl-2-[(1-phenylpropylamino)methyl]phenol
SMILESCCC(NCc1cc(C)ccc1O)c1ccccc1
InChIInChI=1S/C17H21NO/c1-3-16(14-7-5-4-6-8-14)18-12-15-11-13(2)9-10-17(15)19/h4-11,16,18-19H,3,12H2,1-2H3
InChIKeyFMERCNGCENDTDP-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
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-phenylpropylamino)methyl]phenol
CID 62305715
4-methyl-2-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 81360761
2-[[[2-hydroxy-1-(3-methoxyphenyl)ethyl]amino]methyl]-4-methylphenol
CID 111467841
2-[[1-(3-hydroxyphenyl)ethylamino]methyl]-4-methylphenol
CID 63324815
1-phenyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 62048044
4-methyl-2-[(3-methylbutan-2-ylamino)methyl]phenol
CID 63327011
4-[1-[(2-ethylphenyl)methylamino]propyl]phenol
CID 64680918
4-[(2,5-dimethylphenyl)methylamino]-4-phenylbutan-1-ol
CID 111449763
2-[(1-phenylpropylamino)methyl]aniline
CID 66418456
2-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-4-methylphenol
CID 95379080
4-methyl-2-[[1-(2-methylphenyl)propan-2-ylamino]methyl]phenol
CID 63324431
2-[[1-(4-ethylphenyl)ethylamino]methyl]-4-methylphenol
CID 63327164

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1-phenylpropylamino)methyl]phenol?
The IUPAC name of 4-methyl-2-[(1-phenylpropylamino)methyl]phenol (CID 55206089) is 4-methyl-2-[(1-phenylpropylamino)methyl]phenol.
What is the SMILES notation for 4-methyl-2-[(1-phenylpropylamino)methyl]phenol?
The canonical SMILES for 4-methyl-2-[(1-phenylpropylamino)methyl]phenol is CCC(NCc1cc(C)ccc1O)c1ccccc1.
What is the InChIKey of 4-methyl-2-[(1-phenylpropylamino)methyl]phenol?
The InChIKey is FMERCNGCENDTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-16(14-7-5-4-6-8-14)18-12-15-11-13(2)9-10-17(15)19/h4-11,16,18-19H,3,12H2,1-2H3.
What are the key properties of 4-methyl-2-[(1-phenylpropylamino)methyl]phenol?
4-methyl-2-[(1-phenylpropylamino)methyl]phenol has a molecular weight of 255.36 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1-phenylpropylamino)methyl]phenol is sourced from PubChem (CID 55206089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).