2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]ethanol

C17H21NO — CID 43151186

IUPAC2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]ethanol
SMILESCc1ccc(C)c(C(NCCO)c2ccccc2)c1
InChIInChI=1S/C17H21NO/c1-13-8-9-14(2)16(12-13)17(18-10-11-19)15-6-4-3-5-7-15/h3-9,12,17-19H,10-11H2,1-2H3
InChIKeyLAZMKEZVNWENGR-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.97
Rot. Bonds5

About 2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]ethanol

2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]ethanol (PubChem CID 43151186) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]ethanol
PubChem CID43151186
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]ethanol
SMILESCc1ccc(C)c(C(NCCO)c2ccccc2)c1
InChIInChI=1S/C17H21NO/c1-13-8-9-14(2)16(12-13)17(18-10-11-19)15-6-4-3-5-7-15/h3-9,12,17-19H,10-11H2,1-2H3
InChIKeyLAZMKEZVNWENGR-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2,5-dimethylphenyl)-phenylmethyl]amino]propanoic acid
CID 43322308
2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]acetic acid
CID 43135171
2-[[(3-methylphenyl)-phenylmethyl]amino]ethanol
CID 144916597
N-[(3-chlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496153
1-(2,5-dimethylphenyl)-N-(2-methylpropoxy)-1-phenylmethanamine
CID 82710589
N-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine
CID 82883967
N-[(2,5-dimethylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43488838
2-(2-chloro-1-phenylethyl)-1,4-dimethylbenzene
CID 66436960
(2R)-N-[(S)-(2,5-dimethylphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 7366385
N-[(2,5-dimethylphenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487964
2-[2-[[(4-methylphenyl)-phenylmethyl]amino]ethoxy]ethanol
CID 110878023
1-(2,5-dimethylphenyl)-N-ethyl-1-phenylpropan-2-amine
CID 66437881

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]ethanol?
The IUPAC name of 2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]ethanol (CID 43151186) is 2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]ethanol.
What is the SMILES notation for 2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]ethanol?
The canonical SMILES for 2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]ethanol is Cc1ccc(C)c(C(NCCO)c2ccccc2)c1.
What is the InChIKey of 2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]ethanol?
The InChIKey is LAZMKEZVNWENGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-8-9-14(2)16(12-13)17(18-10-11-19)15-6-4-3-5-7-15/h3-9,12,17-19H,10-11H2,1-2H3.
What are the key properties of 2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]ethanol?
2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]ethanol has a molecular weight of 255.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]ethanol is sourced from PubChem (CID 43151186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).