1-(benzylamino)-1-[benzyl(propan-2-yl)amino]ethanol

C19H26N2O — CID 57140847

IUPAC1-(benzylamino)-1-[benzyl(propan-2-yl)amino]ethanol
SMILESCC(C)N(Cc1ccccc1)C(C)(O)NCc1ccccc1
InChIInChI=1S/C19H26N2O/c1-16(2)21(15-18-12-8-5-9-13-18)19(3,22)20-14-17-10-6-4-7-11-17/h4-13,16,20,22H,14-15H2,1-3H3
InChIKeyYEHZLHJDOZZYHB-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.35
Rot. Bonds7

About 1-(benzylamino)-1-[benzyl(propan-2-yl)amino]ethanol

1-(benzylamino)-1-[benzyl(propan-2-yl)amino]ethanol (PubChem CID 57140847) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(benzylamino)-1-[benzyl(propan-2-yl)amino]ethanol.

Molecular Properties

Compound Name1-(benzylamino)-1-[benzyl(propan-2-yl)amino]ethanol
PubChem CID57140847
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-(benzylamino)-1-[benzyl(propan-2-yl)amino]ethanol
SMILESCC(C)N(Cc1ccccc1)C(C)(O)NCc1ccccc1
InChIInChI=1S/C19H26N2O/c1-16(2)21(15-18-12-8-5-9-13-18)19(3,22)20-14-17-10-6-4-7-11-17/h4-13,16,20,22H,14-15H2,1-3H3
InChIKeyYEHZLHJDOZZYHB-UHFFFAOYSA-N
XLogP3.35
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[4-[[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]amino]methyl]phenyl]methanol
CID 110009629
3-[benzyl(methyl)amino]-2-methylbutan-2-ol
CID 130666424
N-benzyl-2-methylpropan-2-amine;guanidine
CID 161475592
[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl-methylamino]methylbenzene
CID 79256333
4-(benzylamino)-2-methylbutan-2-ol
CID 21242176
2-(benzylamino)-N,N,2-trimethylpropanamide;hydrochloride
CID 115618466
1-N,2-N-dibenzyl-1-N,3-dimethylbutane-1,2-diamine
CID 130887110
(2S)-2-(benzylamino)-3-methyl-1,1-diphenylbutan-1-ol
CID 101095551
2-(benzylamino)propane-2-sulfonyl fluoride
CID 155141891
bis(N-benzyl-N-propan-2-ylcarbamodithioate);cobalt(2+)
CID 172834720
N-benzyl-4-[(tert-butylamino)methyl]-6-methyl-N-propan-2-ylpyridin-2-amine
CID 113379293
N'-benzyl-N-tert-butyl-N'-propan-2-yloxamide
CID 108503369

Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)-1-[benzyl(propan-2-yl)amino]ethanol?
The IUPAC name of 1-(benzylamino)-1-[benzyl(propan-2-yl)amino]ethanol (CID 57140847) is 1-(benzylamino)-1-[benzyl(propan-2-yl)amino]ethanol.
What is the SMILES notation for 1-(benzylamino)-1-[benzyl(propan-2-yl)amino]ethanol?
The canonical SMILES for 1-(benzylamino)-1-[benzyl(propan-2-yl)amino]ethanol is CC(C)N(Cc1ccccc1)C(C)(O)NCc1ccccc1.
What is the InChIKey of 1-(benzylamino)-1-[benzyl(propan-2-yl)amino]ethanol?
The InChIKey is YEHZLHJDOZZYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-16(2)21(15-18-12-8-5-9-13-18)19(3,22)20-14-17-10-6-4-7-11-17/h4-13,16,20,22H,14-15H2,1-3H3.
What are the key properties of 1-(benzylamino)-1-[benzyl(propan-2-yl)amino]ethanol?
1-(benzylamino)-1-[benzyl(propan-2-yl)amino]ethanol has a molecular weight of 298.43 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)-1-[benzyl(propan-2-yl)amino]ethanol is sourced from PubChem (CID 57140847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).