2-[benzyl(2-pyridin-2-ylethyl)amino]-3-methylbutan-1-ol

C19H26N2O — CID 111462145

IUPAC2-[benzyl(2-pyridin-2-ylethyl)amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)N(CCc1ccccn1)Cc1ccccc1
InChIInChI=1S/C19H26N2O/c1-16(2)19(15-22)21(14-17-8-4-3-5-9-17)13-11-18-10-6-7-12-20-18/h3-10,12,16,19,22H,11,13-15H2,1-2H3
InChIKeyLESSCYHLZCGPMX-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.14
Rot. Bonds8

About 2-[benzyl(2-pyridin-2-ylethyl)amino]-3-methylbutan-1-ol

2-[benzyl(2-pyridin-2-ylethyl)amino]-3-methylbutan-1-ol (PubChem CID 111462145) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[benzyl(2-pyridin-2-ylethyl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[benzyl(2-pyridin-2-ylethyl)amino]-3-methylbutan-1-ol
PubChem CID111462145
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name2-[benzyl(2-pyridin-2-ylethyl)amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)N(CCc1ccccn1)Cc1ccccc1
InChIInChI=1S/C19H26N2O/c1-16(2)19(15-22)21(14-17-8-4-3-5-9-17)13-11-18-10-6-7-12-20-18/h3-10,12,16,19,22H,11,13-15H2,1-2H3
InChIKeyLESSCYHLZCGPMX-UHFFFAOYSA-N
XLogP3.14
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]butan-1-ol
CID 115137806
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
2-[benzyl-[(5-chlorothiadiazol-4-yl)methyl]amino]-3-methylbutan-1-ol
CID 56792918
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
N-benzyl-N-(2-chloroethyl)-2-pyridin-2-ylethanamine;hydrochloride
CID 3053599
3-amino-4,4-dimethyl-2-[methyl(pyridin-2-ylmethyl)amino]pentan-1-ol
CID 114356672
2-[methyl(2-pyridin-2-ylethyl)amino]-1-phenylpropan-1-one
CID 43228048
2-[benzyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-methylbutan-1-ol
CID 111432014
3-[propan-2-yl(2-pyridin-2-ylethyl)amino]propanenitrile
CID 55207213
N'-benzyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 107367067
1-(4-amino-3,5-dichlorophenyl)-2-[benzyl-[6-(2-pyridin-2-ylethoxy)hexyl]amino]propan-1-ol
CID 19876760

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2-pyridin-2-ylethyl)amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[benzyl(2-pyridin-2-ylethyl)amino]-3-methylbutan-1-ol (CID 111462145) is 2-[benzyl(2-pyridin-2-ylethyl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[benzyl(2-pyridin-2-ylethyl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[benzyl(2-pyridin-2-ylethyl)amino]-3-methylbutan-1-ol is CC(C)C(CO)N(CCc1ccccn1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(2-pyridin-2-ylethyl)amino]-3-methylbutan-1-ol?
The InChIKey is LESSCYHLZCGPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-16(2)19(15-22)21(14-17-8-4-3-5-9-17)13-11-18-10-6-7-12-20-18/h3-10,12,16,19,22H,11,13-15H2,1-2H3.
What are the key properties of 2-[benzyl(2-pyridin-2-ylethyl)amino]-3-methylbutan-1-ol?
2-[benzyl(2-pyridin-2-ylethyl)amino]-3-methylbutan-1-ol has a molecular weight of 298.43 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2-pyridin-2-ylethyl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 111462145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).