4-ethyl-2-[(4-methylphenyl)methyl]octan-1-amine

C18H31N — CID 55195254

IUPAC4-ethyl-2-[(4-methylphenyl)methyl]octan-1-amine
SMILESCCCCC(CC)CC(CN)Cc1ccc(C)cc1
InChIInChI=1S/C18H31N/c1-4-6-7-16(5-2)12-18(14-19)13-17-10-8-15(3)9-11-17/h8-11,16,18H,4-7,12-14,19H2,1-3H3
InChIKeySANQGFKZSAMIDP-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.72
Rot. Bonds9

About 4-ethyl-2-[(4-methylphenyl)methyl]octan-1-amine

4-ethyl-2-[(4-methylphenyl)methyl]octan-1-amine (PubChem CID 55195254) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 4-ethyl-2-[(4-methylphenyl)methyl]octan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-[(4-methylphenyl)methyl]octan-1-amine
PubChem CID55195254
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name4-ethyl-2-[(4-methylphenyl)methyl]octan-1-amine
SMILESCCCCC(CC)CC(CN)Cc1ccc(C)cc1
InChIInChI=1S/C18H31N/c1-4-6-7-16(5-2)12-18(14-19)13-17-10-8-15(3)9-11-17/h8-11,16,18H,4-7,12-14,19H2,1-3H3
InChIKeySANQGFKZSAMIDP-UHFFFAOYSA-N
XLogP4.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(chloromethyl)-4-ethyloctyl]-4-methylbenzene
CID 66034803
2-[(4-methylphenyl)methyl]heptan-1-amine
CID 62503996
4-ethyl-1-(4-methylphenyl)octan-2-ol
CID 63410684
1-[2-(chloromethyl)hexyl]-4-methylbenzene
CID 66033472
4-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 62505527
1,2,3,4,5,6-hexakis[4-(2-ethylhexyl)phenyl]benzene
CID 131637875
1-chloro-4-[2-(chloromethyl)-4-ethyloctyl]benzene
CID 66035269
1-[2-(chloromethyl)heptyl]-4-methylbenzene
CID 66033261
1-[2-(bromomethyl)octyl]-4-methylbenzene
CID 66042675
2-[(4-methylphenyl)methyl]undecan-1-ol
CID 66059453
(2S)-2-ethylhexan-1-amine
CID 6999997
4-ethyl-2-[(4-methoxyphenyl)methyl]octan-1-ol
CID 66058427

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(4-methylphenyl)methyl]octan-1-amine?
The IUPAC name of 4-ethyl-2-[(4-methylphenyl)methyl]octan-1-amine (CID 55195254) is 4-ethyl-2-[(4-methylphenyl)methyl]octan-1-amine.
What is the SMILES notation for 4-ethyl-2-[(4-methylphenyl)methyl]octan-1-amine?
The canonical SMILES for 4-ethyl-2-[(4-methylphenyl)methyl]octan-1-amine is CCCCC(CC)CC(CN)Cc1ccc(C)cc1.
What is the InChIKey of 4-ethyl-2-[(4-methylphenyl)methyl]octan-1-amine?
The InChIKey is SANQGFKZSAMIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-4-6-7-16(5-2)12-18(14-19)13-17-10-8-15(3)9-11-17/h8-11,16,18H,4-7,12-14,19H2,1-3H3.
What are the key properties of 4-ethyl-2-[(4-methylphenyl)methyl]octan-1-amine?
4-ethyl-2-[(4-methylphenyl)methyl]octan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(4-methylphenyl)methyl]octan-1-amine is sourced from PubChem (CID 55195254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).