N-[(3,5-diethylphenyl)methyl]-N-ethylbutan-1-amine

C17H29N — CID 157340132

IUPACN-[(3,5-diethylphenyl)methyl]-N-ethylbutan-1-amine
SMILESCCCCN(CC)Cc1cc(CC)cc(CC)c1
InChIInChI=1S/C17H29N/c1-5-9-10-18(8-4)14-17-12-15(6-2)11-16(7-3)13-17/h11-13H,5-10,14H2,1-4H3
InChIKeyXUVPJKSHBQTJOU-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.43
Rot. Bonds8

About N-[(3,5-diethylphenyl)methyl]-N-ethylbutan-1-amine

N-[(3,5-diethylphenyl)methyl]-N-ethylbutan-1-amine (PubChem CID 157340132) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-[(3,5-diethylphenyl)methyl]-N-ethylbutan-1-amine.

Molecular Properties

Compound NameN-[(3,5-diethylphenyl)methyl]-N-ethylbutan-1-amine
PubChem CID157340132
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-[(3,5-diethylphenyl)methyl]-N-ethylbutan-1-amine
SMILESCCCCN(CC)Cc1cc(CC)cc(CC)c1
InChIInChI=1S/C17H29N/c1-5-9-10-18(8-4)14-17-12-15(6-2)11-16(7-3)13-17/h11-13H,5-10,14H2,1-4H3
InChIKeyXUVPJKSHBQTJOU-UHFFFAOYSA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[butyl(ethyl)amino]methyl]-2,6-difluorophenol
CID 82975285
3-[[butyl(ethyl)amino]methyl]-5-fluoroaniline
CID 112645909
N-[[3,5-bis[(dipropylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine
CID 141138330
N-[(3-bromo-4-fluorophenyl)methyl]-N-ethylbutan-1-amine
CID 55220419
4-[[3-(diethylamino)propyl-ethylamino]methyl]-2,6-dimethylphenol
CID 102999125
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylbutan-1-amine
CID 114011928
N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylbutan-1-amine
CID 60688736
4-bromo-3-[[butyl(ethyl)amino]methyl]phenol
CID 82974913
tetrakis(N,N-diethylbutan-1-amine);ethane;methane
CID 157434901
4-[[ethyl(octyl)amino]methyl]aniline
CID 43458886
4-[[decyl(ethyl)amino]methyl]aniline
CID 63532932
methyl 4-[[butyl(ethyl)amino]methyl]-2-fluorobenzoate
CID 103749211

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-diethylphenyl)methyl]-N-ethylbutan-1-amine?
The IUPAC name of N-[(3,5-diethylphenyl)methyl]-N-ethylbutan-1-amine (CID 157340132) is N-[(3,5-diethylphenyl)methyl]-N-ethylbutan-1-amine.
What is the SMILES notation for N-[(3,5-diethylphenyl)methyl]-N-ethylbutan-1-amine?
The canonical SMILES for N-[(3,5-diethylphenyl)methyl]-N-ethylbutan-1-amine is CCCCN(CC)Cc1cc(CC)cc(CC)c1.
What is the InChIKey of N-[(3,5-diethylphenyl)methyl]-N-ethylbutan-1-amine?
The InChIKey is XUVPJKSHBQTJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-9-10-18(8-4)14-17-12-15(6-2)11-16(7-3)13-17/h11-13H,5-10,14H2,1-4H3.
What are the key properties of N-[(3,5-diethylphenyl)methyl]-N-ethylbutan-1-amine?
N-[(3,5-diethylphenyl)methyl]-N-ethylbutan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-diethylphenyl)methyl]-N-ethylbutan-1-amine is sourced from PubChem (CID 157340132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).