3-ethyl-N-[phenyl(pyridin-2-yl)methyl]pentan-2-amine

C19H26N2 — CID 63842105

IUPAC3-ethyl-N-[phenyl(pyridin-2-yl)methyl]pentan-2-amine
SMILESCCC(CC)C(C)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C19H26N2/c1-4-16(5-2)15(3)21-19(17-11-7-6-8-12-17)18-13-9-10-14-20-18/h6-16,19,21H,4-5H2,1-3H3
InChIKeyHTISZDBCZUSPLL-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.59
Rot. Bonds7

About 3-ethyl-N-[phenyl(pyridin-2-yl)methyl]pentan-2-amine

3-ethyl-N-[phenyl(pyridin-2-yl)methyl]pentan-2-amine (PubChem CID 63842105) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-ethyl-N-[phenyl(pyridin-2-yl)methyl]pentan-2-amine.

Molecular Properties

Compound Name3-ethyl-N-[phenyl(pyridin-2-yl)methyl]pentan-2-amine
PubChem CID63842105
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name3-ethyl-N-[phenyl(pyridin-2-yl)methyl]pentan-2-amine
SMILESCCC(CC)C(C)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C19H26N2/c1-4-16(5-2)15(3)21-19(17-11-7-6-8-12-17)18-13-9-10-14-20-18/h6-16,19,21H,4-5H2,1-3H3
InChIKeyHTISZDBCZUSPLL-UHFFFAOYSA-N
XLogP4.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]butan-1-ol
CID 68622948
(2R)-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]propanamide
CID 34156658
3-ethyl-N-(1-phenylethyl)pentan-2-amine
CID 63843790
(1S)-N-[phenyl(pyridin-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 81389419
(1R)-1-cyclopentyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 81389751
4-[(2R)-butan-2-yl]-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25357202
4-[(2S)-butan-2-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25357201
2-methyl-1-pyridin-2-ylbutan-1-ol
CID 79444533
3-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81402254
(1S)-1-(3-methylthiophen-2-yl)-N-[(S)-phenyl(pyridin-2-yl)methyl]ethanamine
CID 97073226
2-ethylsulfonyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 103948036
3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide
CID 36947465

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[phenyl(pyridin-2-yl)methyl]pentan-2-amine?
The IUPAC name of 3-ethyl-N-[phenyl(pyridin-2-yl)methyl]pentan-2-amine (CID 63842105) is 3-ethyl-N-[phenyl(pyridin-2-yl)methyl]pentan-2-amine.
What is the SMILES notation for 3-ethyl-N-[phenyl(pyridin-2-yl)methyl]pentan-2-amine?
The canonical SMILES for 3-ethyl-N-[phenyl(pyridin-2-yl)methyl]pentan-2-amine is CCC(CC)C(C)NC(c1ccccc1)c1ccccn1.
What is the InChIKey of 3-ethyl-N-[phenyl(pyridin-2-yl)methyl]pentan-2-amine?
The InChIKey is HTISZDBCZUSPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-16(5-2)15(3)21-19(17-11-7-6-8-12-17)18-13-9-10-14-20-18/h6-16,19,21H,4-5H2,1-3H3.
What are the key properties of 3-ethyl-N-[phenyl(pyridin-2-yl)methyl]pentan-2-amine?
3-ethyl-N-[phenyl(pyridin-2-yl)methyl]pentan-2-amine has a molecular weight of 282.43 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[phenyl(pyridin-2-yl)methyl]pentan-2-amine is sourced from PubChem (CID 63842105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).