2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol

C18H23NO — CID 60684939

IUPAC2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol
SMILESCc1cc(C)cc(CN(CCO)Cc2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-15-10-16(2)12-18(11-15)14-19(8-9-20)13-17-6-4-3-5-7-17/h3-7,10-12,20H,8-9,13-14H2,1-2H3
InChIKeyXGLFICKPVFNJHN-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.30
Rot. Bonds6

About 2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol

2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol (PubChem CID 60684939) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol
PubChem CID60684939
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol
SMILESCc1cc(C)cc(CN(CCO)Cc2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-15-10-16(2)12-18(11-15)14-19(8-9-20)13-17-6-4-3-5-7-17/h3-7,10-12,20H,8-9,13-14H2,1-2H3
InChIKeyXGLFICKPVFNJHN-UHFFFAOYSA-N
XLogP3.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[[3-[[[3-[[bis[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-methylphenyl]methyl-[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-[(dibenzylamino)methyl]phenyl]methyl]-1-phenylmethanamine
CID 89334206
2-[benzyl(pent-3-ynyl)amino]ethanol
CID 104748242
4-[[benzyl(2-hydroxyethyl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 62274854
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine
CID 67016805
2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride
CID 2845478
2-[benzyl(2-fluoroethyl)amino]ethanol
CID 80601443
1-[benzyl(2-hydroxyethyl)amino]propan-2-one
CID 20674857
2-[benzyl(nonyl)amino]ethanol
CID 63469962
N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 39357118
2-[benzyl-[(2,6-dichlorophenyl)methyl]amino]ethanol
CID 6456340
2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]ethanol
CID 110880251

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol (CID 60684939) is 2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol is Cc1cc(C)cc(CN(CCO)Cc2ccccc2)c1.
What is the InChIKey of 2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol?
The InChIKey is XGLFICKPVFNJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-15-10-16(2)12-18(11-15)14-19(8-9-20)13-17-6-4-3-5-7-17/h3-7,10-12,20H,8-9,13-14H2,1-2H3.
What are the key properties of 2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol?
2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol has a molecular weight of 269.39 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol is sourced from PubChem (CID 60684939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).