[4-[(2,4,5-trimethylphenyl)methylamino]phenyl]methanol

C17H21NO — CID 115777910

IUPAC[4-[(2,4,5-trimethylphenyl)methylamino]phenyl]methanol
SMILESCc1cc(C)c(CNc2ccc(CO)cc2)cc1C
InChIInChI=1S/C17H21NO/c1-12-8-14(3)16(9-13(12)2)10-18-17-6-4-15(11-19)5-7-17/h4-9,18-19H,10-11H2,1-3H3
InChIKeyFUDQNMDZPJLHBY-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.72
Rot. Bonds4

About [4-[(2,4,5-trimethylphenyl)methylamino]phenyl]methanol

[4-[(2,4,5-trimethylphenyl)methylamino]phenyl]methanol (PubChem CID 115777910) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is [4-[(2,4,5-trimethylphenyl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2,4,5-trimethylphenyl)methylamino]phenyl]methanol
PubChem CID115777910
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name[4-[(2,4,5-trimethylphenyl)methylamino]phenyl]methanol
SMILESCc1cc(C)c(CNc2ccc(CO)cc2)cc1C
InChIInChI=1S/C17H21NO/c1-12-8-14(3)16(9-13(12)2)10-18-17-6-4-15(11-19)5-7-17/h4-9,18-19H,10-11H2,1-3H3
InChIKeyFUDQNMDZPJLHBY-UHFFFAOYSA-N
XLogP3.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(2,4,5-trimethylphenyl)methylamino]phenyl]acetamide
CID 43786872
4-iodo-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43773251
4-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43760581
[4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]methanol
CID 113397661
3-iodo-4-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43784979
2-fluoro-4-[(2,4,5-trimethylphenyl)methylamino]phenol
CID 64795397
4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 63455858
N-[(2,4,5-trimethylphenyl)methyl]naphthalen-2-amine
CID 43780291
[4-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol
CID 112706584
4-chloro-3-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 107621318
3-[(2,4,5-trimethylphenyl)methylamino]benzamide
CID 43767609
N-[(5-fluoro-2-methylphenyl)methyl]-4-propylaniline
CID 105370804

Frequently Asked Questions

What is the IUPAC name of [4-[(2,4,5-trimethylphenyl)methylamino]phenyl]methanol?
The IUPAC name of [4-[(2,4,5-trimethylphenyl)methylamino]phenyl]methanol (CID 115777910) is [4-[(2,4,5-trimethylphenyl)methylamino]phenyl]methanol.
What is the SMILES notation for [4-[(2,4,5-trimethylphenyl)methylamino]phenyl]methanol?
The canonical SMILES for [4-[(2,4,5-trimethylphenyl)methylamino]phenyl]methanol is Cc1cc(C)c(CNc2ccc(CO)cc2)cc1C.
What is the InChIKey of [4-[(2,4,5-trimethylphenyl)methylamino]phenyl]methanol?
The InChIKey is FUDQNMDZPJLHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-8-14(3)16(9-13(12)2)10-18-17-6-4-15(11-19)5-7-17/h4-9,18-19H,10-11H2,1-3H3.
What are the key properties of [4-[(2,4,5-trimethylphenyl)methylamino]phenyl]methanol?
[4-[(2,4,5-trimethylphenyl)methylamino]phenyl]methanol has a molecular weight of 255.36 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,4,5-trimethylphenyl)methylamino]phenyl]methanol is sourced from PubChem (CID 115777910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).