N,4-diethyl-2-(4-methylphenyl)octan-1-amine

C19H33N — CID 79435832

IUPACN,4-diethyl-2-(4-methylphenyl)octan-1-amine
SMILESCCCCC(CC)CC(CNCC)c1ccc(C)cc1
InChIInChI=1S/C19H33N/c1-5-8-9-17(6-2)14-19(15-20-7-3)18-12-10-16(4)11-13-18/h10-13,17,19-20H,5-9,14-15H2,1-4H3
InChIKeyQPBPRMIXUIXWBD-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.29
Rot. Bonds10

About N,4-diethyl-2-(4-methylphenyl)octan-1-amine

N,4-diethyl-2-(4-methylphenyl)octan-1-amine (PubChem CID 79435832) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is N,4-diethyl-2-(4-methylphenyl)octan-1-amine.

Molecular Properties

Compound NameN,4-diethyl-2-(4-methylphenyl)octan-1-amine
PubChem CID79435832
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC NameN,4-diethyl-2-(4-methylphenyl)octan-1-amine
SMILESCCCCC(CC)CC(CNCC)c1ccc(C)cc1
InChIInChI=1S/C19H33N/c1-5-8-9-17(6-2)14-19(15-20-7-3)18-12-10-16(4)11-13-18/h10-13,17,19-20H,5-9,14-15H2,1-4H3
InChIKeyQPBPRMIXUIXWBD-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-ethyl-2-(4-methylphenyl)octyl]cyclopropanamine
CID 79430983
2-(4-chlorophenyl)-4-ethyl-N-methyloctan-1-amine
CID 79441273
2-(4-chlorophenyl)-N,4-diethylhexan-1-amine
CID 82930759
2-(4-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 79437253
N,2-diethylhexan-1-amine
CID 14272988
N,5-diethyl-2,3-dimethylnonan-1-amine
CID 81016450
N-methyl-2-(4-methylphenyl)nonan-1-amine
CID 79436826
2-(3-chlorophenyl)-4-ethyl-N-methyloctan-1-amine
CID 79443182
N-[4-ethyl-2-(3-methylphenyl)octyl]cyclopropanamine
CID 79422736
1-methyl-4-undecan-6-ylbenzene
CID 54207407
1-(1-chlorohexan-2-yl)-4-methylbenzene
CID 79436846
4-ethyl-1-(4-methylphenyl)octan-2-ol
CID 63410684

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-2-(4-methylphenyl)octan-1-amine?
The IUPAC name of N,4-diethyl-2-(4-methylphenyl)octan-1-amine (CID 79435832) is N,4-diethyl-2-(4-methylphenyl)octan-1-amine.
What is the SMILES notation for N,4-diethyl-2-(4-methylphenyl)octan-1-amine?
The canonical SMILES for N,4-diethyl-2-(4-methylphenyl)octan-1-amine is CCCCC(CC)CC(CNCC)c1ccc(C)cc1.
What is the InChIKey of N,4-diethyl-2-(4-methylphenyl)octan-1-amine?
The InChIKey is QPBPRMIXUIXWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-5-8-9-17(6-2)14-19(15-20-7-3)18-12-10-16(4)11-13-18/h10-13,17,19-20H,5-9,14-15H2,1-4H3.
What are the key properties of N,4-diethyl-2-(4-methylphenyl)octan-1-amine?
N,4-diethyl-2-(4-methylphenyl)octan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 5.29, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-2-(4-methylphenyl)octan-1-amine is sourced from PubChem (CID 79435832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).