N-ethyl-1-(4-propan-2-yloxyphenyl)octan-1-amine

C19H33NO — CID 43492130

IUPACN-ethyl-1-(4-propan-2-yloxyphenyl)octan-1-amine
SMILESCCCCCCCC(NCC)c1ccc(OC(C)C)cc1
InChIInChI=1S/C19H33NO/c1-5-7-8-9-10-11-19(20-6-2)17-12-14-18(15-13-17)21-16(3)4/h12-16,19-20H,5-11H2,1-4H3
InChIKeyFRCCBHPHYBQGMR-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.48
Rot. Bonds11

About N-ethyl-1-(4-propan-2-yloxyphenyl)octan-1-amine

N-ethyl-1-(4-propan-2-yloxyphenyl)octan-1-amine (PubChem CID 43492130) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-ethyl-1-(4-propan-2-yloxyphenyl)octan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-propan-2-yloxyphenyl)octan-1-amine
PubChem CID43492130
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-ethyl-1-(4-propan-2-yloxyphenyl)octan-1-amine
SMILESCCCCCCCC(NCC)c1ccc(OC(C)C)cc1
InChIInChI=1S/C19H33NO/c1-5-7-8-9-10-11-19(20-6-2)17-12-14-18(15-13-17)21-16(3)4/h12-16,19-20H,5-11H2,1-4H3
InChIKeyFRCCBHPHYBQGMR-UHFFFAOYSA-N
XLogP5.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-propan-2-yloxyphenyl)nonylhydrazine
CID 105304165
1-(4-butoxyphenyl)-N-ethylheptan-1-amine
CID 105125826
N-methyl-1-(4-propan-2-yloxyphenyl)hexan-1-amine
CID 43485534
3-ethoxy-N-ethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 105144753
N,N',N'-triethyl-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine
CID 79094593
N-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)hexan-1-amine
CID 105027344
1-(4-chlorophenyl)-N-ethylhexan-1-amine
CID 43488947
4-[1-(ethylamino)heptyl]-N,N-dimethylaniline
CID 105126485
N-ethyl-1-(4-methylsulfanylphenyl)heptan-1-amine
CID 115833600
N-ethyl-1-(4-propoxyphenyl)pentan-1-amine
CID 79405246
N-ethyl-1-(4-propan-2-yloxyphenyl)but-3-en-1-amine
CID 116660776
N-[1-(4-propan-2-yloxyphenyl)ethyl]pentan-1-amine
CID 43102192

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-propan-2-yloxyphenyl)octan-1-amine?
The IUPAC name of N-ethyl-1-(4-propan-2-yloxyphenyl)octan-1-amine (CID 43492130) is N-ethyl-1-(4-propan-2-yloxyphenyl)octan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-propan-2-yloxyphenyl)octan-1-amine?
The canonical SMILES for N-ethyl-1-(4-propan-2-yloxyphenyl)octan-1-amine is CCCCCCCC(NCC)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-ethyl-1-(4-propan-2-yloxyphenyl)octan-1-amine?
The InChIKey is FRCCBHPHYBQGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-5-7-8-9-10-11-19(20-6-2)17-12-14-18(15-13-17)21-16(3)4/h12-16,19-20H,5-11H2,1-4H3.
What are the key properties of N-ethyl-1-(4-propan-2-yloxyphenyl)octan-1-amine?
N-ethyl-1-(4-propan-2-yloxyphenyl)octan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 5.48, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-propan-2-yloxyphenyl)octan-1-amine is sourced from PubChem (CID 43492130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).