3-methyl-2-octan-2-yloxy-1-phenylbutan-1-amine

C19H33NO — CID 43127446

IUPAC3-methyl-2-octan-2-yloxy-1-phenylbutan-1-amine
SMILESCCCCCCC(C)OC(C(C)C)C(N)c1ccccc1
InChIInChI=1S/C19H33NO/c1-5-6-7-9-12-16(4)21-19(15(2)3)18(20)17-13-10-8-11-14-17/h8,10-11,13-16,18-19H,5-7,9,12,20H2,1-4H3
InChIKeyCKBQYAXHDMUPDX-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.09
Rot. Bonds10

About 3-methyl-2-octan-2-yloxy-1-phenylbutan-1-amine

3-methyl-2-octan-2-yloxy-1-phenylbutan-1-amine (PubChem CID 43127446) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 3-methyl-2-octan-2-yloxy-1-phenylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-2-octan-2-yloxy-1-phenylbutan-1-amine
PubChem CID43127446
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name3-methyl-2-octan-2-yloxy-1-phenylbutan-1-amine
SMILESCCCCCCC(C)OC(C(C)C)C(N)c1ccccc1
InChIInChI=1S/C19H33NO/c1-5-6-7-9-12-16(4)21-19(15(2)3)18(20)17-13-10-8-11-14-17/h8,10-11,13-16,18-19H,5-7,9,12,20H2,1-4H3
InChIKeyCKBQYAXHDMUPDX-UHFFFAOYSA-N
XLogP5.09
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 ≤ 55.09
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-decan-2-yloxyethylbenzene
CID 102455455
2-hexadecan-2-yloxy-3-methylbutane-1,1-diamine;dihydrochloride
CID 173469879
2-bromo-1-phenyltridecan-1-amine
CID 175004470
1-(1-phenyloctadecoxy)octadecylbenzene
CID 175415236
1-phenyldecan-1-amine
CID 43175860
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047
decan-2-yloxybenzene
CID 12838331
chloromethane;1-phenyltridecan-1-amine
CID 175245788
3-methyl-1-phenylundecan-1-amine
CID 174237329
triethyl-(5-phenyl-5-undecan-2-yloxypentoxy)silane
CID 102278322
1-(3-bromophenyl)-1-octan-2-yloxypropan-2-amine
CID 63459544
1-phenylhexan-1-amine;hydrochloride
CID 3033249

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-octan-2-yloxy-1-phenylbutan-1-amine?
The IUPAC name of 3-methyl-2-octan-2-yloxy-1-phenylbutan-1-amine (CID 43127446) is 3-methyl-2-octan-2-yloxy-1-phenylbutan-1-amine.
What is the SMILES notation for 3-methyl-2-octan-2-yloxy-1-phenylbutan-1-amine?
The canonical SMILES for 3-methyl-2-octan-2-yloxy-1-phenylbutan-1-amine is CCCCCCC(C)OC(C(C)C)C(N)c1ccccc1.
What is the InChIKey of 3-methyl-2-octan-2-yloxy-1-phenylbutan-1-amine?
The InChIKey is CKBQYAXHDMUPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-5-6-7-9-12-16(4)21-19(15(2)3)18(20)17-13-10-8-11-14-17/h8,10-11,13-16,18-19H,5-7,9,12,20H2,1-4H3.
What are the key properties of 3-methyl-2-octan-2-yloxy-1-phenylbutan-1-amine?
3-methyl-2-octan-2-yloxy-1-phenylbutan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 5.09, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-octan-2-yloxy-1-phenylbutan-1-amine is sourced from PubChem (CID 43127446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).