2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine

C19H33NO — CID 43127437

IUPAC2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine
SMILESCCCCCCC(C)OCC(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H33NO/c1-5-6-7-8-9-16(4)21-14-19(20)18-12-10-17(11-13-18)15(2)3/h10-13,15-16,19H,5-9,14,20H2,1-4H3
InChIKeyXVCUYXANCMWTJC-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.19
Rot. Bonds10

About 2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine

2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 43127437) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID43127437
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine
SMILESCCCCCCC(C)OCC(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H33NO/c1-5-6-7-8-9-16(4)21-14-19(20)18-12-10-17(11-13-18)15(2)3/h10-13,15-16,19H,5-9,14,20H2,1-4H3
InChIKeyXVCUYXANCMWTJC-UHFFFAOYSA-N
XLogP5.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.19
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-octan-2-yloxypropan-2-amine
CID 43127432
1-(2-ethoxyphenyl)-2-octan-2-yloxyethanamine
CID 43127460
2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanone
CID 43800065
4-(1-aminooctyl)aniline
CID 137458153
2-pentan-2-yloxy-1-(4-propoxyphenyl)ethanamine
CID 102981242
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine
CID 78960974
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine;hydrochloride
CID 171200402
1-(1-bromodecyl)-4-propan-2-ylbenzene
CID 65426216
1-(1-chlorooctyl)-4-propan-2-ylbenzene
CID 55199303
2-butylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64611096
1-[2,4-di(propan-2-yl)phenyl]hexan-1-amine
CID 43125390
1-(4-ethylphenyl)decan-1-amine
CID 63412475

Frequently Asked Questions

What is the IUPAC name of 2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine (CID 43127437) is 2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine is CCCCCCC(C)OCC(N)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is XVCUYXANCMWTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-5-6-7-8-9-16(4)21-14-19(20)18-12-10-17(11-13-18)15(2)3/h10-13,15-16,19H,5-9,14,20H2,1-4H3.
What are the key properties of 2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine?
2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 291.48 g/mol, XLogP of 5.19, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 43127437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).