1-(4-ethylphenyl)decan-1-amine

C18H31N — CID 63412475

IUPAC1-(4-ethylphenyl)decan-1-amine
SMILESCCCCCCCCCC(N)c1ccc(CC)cc1
InChIInChI=1S/C18H31N/c1-3-5-6-7-8-9-10-11-18(19)17-14-12-16(4-2)13-15-17/h12-15,18H,3-11,19H2,1-2H3
InChIKeyNGUIYSSKTPSHEF-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.39
Rot. Bonds10

About 1-(4-ethylphenyl)decan-1-amine

1-(4-ethylphenyl)decan-1-amine (PubChem CID 63412475) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 1-(4-ethylphenyl)decan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)decan-1-amine
PubChem CID63412475
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name1-(4-ethylphenyl)decan-1-amine
SMILESCCCCCCCCCC(N)c1ccc(CC)cc1
InChIInChI=1S/C18H31N/c1-3-5-6-7-8-9-10-11-18(19)17-14-12-16(4-2)13-15-17/h12-15,18H,3-11,19H2,1-2H3
InChIKeyNGUIYSSKTPSHEF-UHFFFAOYSA-N
XLogP5.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(1-aminooctyl)aniline
CID 137458153
1-(4-ethylphenyl)oct-7-en-1-amine
CID 107008823
1-(4-iodophenyl)heptan-1-amine
CID 115833109
4-(1-aminododecyl)phenol
CID 174770403
1-phenyldecan-1-amine
CID 43175860
1-[4-(2-methoxyethyl)phenyl]decan-1-amine
CID 65449887
1-(4-tert-butylphenyl)decan-1-amine
CID 65449130
1-(4-tert-butylphenyl)heptan-1-amine
CID 114752279
(1R)-1-(4-bromophenyl)hexan-1-amine
CID 28979676
(1S)-1-(4-bromophenyl)hexan-1-amine
CID 28979678
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047
1-(4-ethylphenyl)undecan-2-amine
CID 115803351

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)decan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)decan-1-amine (CID 63412475) is 1-(4-ethylphenyl)decan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)decan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)decan-1-amine is CCCCCCCCCC(N)c1ccc(CC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)decan-1-amine?
The InChIKey is NGUIYSSKTPSHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-3-5-6-7-8-9-10-11-18(19)17-14-12-16(4-2)13-15-17/h12-15,18H,3-11,19H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)decan-1-amine?
1-(4-ethylphenyl)decan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 5.39, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)decan-1-amine is sourced from PubChem (CID 63412475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).