1-(4-ethylphenyl)undecan-2-amine

C19H33N — CID 115803351

IUPAC1-(4-ethylphenyl)undecan-2-amine
SMILESCCCCCCCCCC(N)Cc1ccc(CC)cc1
InChIInChI=1S/C19H33N/c1-3-5-6-7-8-9-10-11-19(20)16-18-14-12-17(4-2)13-15-18/h12-15,19H,3-11,16,20H2,1-2H3
InChIKeyDHDSFNAZEUAXDR-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.26
Rot. Bonds11

About 1-(4-ethylphenyl)undecan-2-amine

1-(4-ethylphenyl)undecan-2-amine (PubChem CID 115803351) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 1-(4-ethylphenyl)undecan-2-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)undecan-2-amine
PubChem CID115803351
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name1-(4-ethylphenyl)undecan-2-amine
SMILESCCCCCCCCCC(N)Cc1ccc(CC)cc1
InChIInChI=1S/C19H33N/c1-3-5-6-7-8-9-10-11-19(20)16-18-14-12-17(4-2)13-15-18/h12-15,19H,3-11,16,20H2,1-2H3
InChIKeyDHDSFNAZEUAXDR-UHFFFAOYSA-N
XLogP5.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.26
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

1-(4-fluorophenyl)undecan-2-amine
CID 63412478
4-(2-aminooctyl)phenol
CID 69403996
1-(4-fluorophenyl)octan-2-amine
CID 62600868
1-(4-tert-butylphenyl)octan-2-amine
CID 115842872
1-(4-methoxyphenyl)heptan-2-amine
CID 61079044
1-[4-(trifluoromethyl)phenyl]decan-2-amine
CID 65426535
1-(4-propylphenyl)hexan-2-amine
CID 82255234
1-(4-ethylphenyl)decan-1-amine
CID 63412475
1,4-diethylbenzene;heptane
CID 175370860
1-(3-fluorophenyl)nonan-2-amine
CID 63417129
1-(3,5-dimethylphenyl)undecan-2-amine
CID 63416207
3-(4-ethylphenyl)propane-1,2-diamine
CID 151041648

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)undecan-2-amine?
The IUPAC name of 1-(4-ethylphenyl)undecan-2-amine (CID 115803351) is 1-(4-ethylphenyl)undecan-2-amine.
What is the SMILES notation for 1-(4-ethylphenyl)undecan-2-amine?
The canonical SMILES for 1-(4-ethylphenyl)undecan-2-amine is CCCCCCCCCC(N)Cc1ccc(CC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)undecan-2-amine?
The InChIKey is DHDSFNAZEUAXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-3-5-6-7-8-9-10-11-19(20)16-18-14-12-17(4-2)13-15-18/h12-15,19H,3-11,16,20H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)undecan-2-amine?
1-(4-ethylphenyl)undecan-2-amine has a molecular weight of 275.48 g/mol, XLogP of 5.26, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)undecan-2-amine is sourced from PubChem (CID 115803351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).