4-butoxy-N-tert-butyl-2-(4-methylphenyl)butan-1-amine

C19H33NO — CID 79430720

IUPAC4-butoxy-N-tert-butyl-2-(4-methylphenyl)butan-1-amine
SMILESCCCCOCCC(CNC(C)(C)C)c1ccc(C)cc1
InChIInChI=1S/C19H33NO/c1-6-7-13-21-14-12-18(15-20-19(3,4)5)17-10-8-16(2)9-11-17/h8-11,18,20H,6-7,12-15H2,1-5H3
InChIKeyRAGHWGSVJWNKDV-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.67
Rot. Bonds9

About 4-butoxy-N-tert-butyl-2-(4-methylphenyl)butan-1-amine

4-butoxy-N-tert-butyl-2-(4-methylphenyl)butan-1-amine (PubChem CID 79430720) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 4-butoxy-N-tert-butyl-2-(4-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name4-butoxy-N-tert-butyl-2-(4-methylphenyl)butan-1-amine
PubChem CID79430720
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name4-butoxy-N-tert-butyl-2-(4-methylphenyl)butan-1-amine
SMILESCCCCOCCC(CNC(C)(C)C)c1ccc(C)cc1
InChIInChI=1S/C19H33NO/c1-6-7-13-21-14-12-18(15-20-19(3,4)5)17-10-8-16(2)9-11-17/h8-11,18,20H,6-7,12-15H2,1-5H3
InChIKeyRAGHWGSVJWNKDV-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.67
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

N-tert-butyl-2-(4-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 115943428
1-(4-butoxy-1-chlorobutan-2-yl)-4-methylbenzene
CID 79436616
2-(4-bromophenyl)-N-tert-butyl-4-ethoxybutan-1-amine
CID 79438359
2-(4-bromophenyl)-N-tert-butyl-4-(2-methoxyethoxy)butan-1-amine
CID 79431613
N-tert-butyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine
CID 106457005
N-ethyl-2-(4-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 79436142
4-(2-methoxyethoxy)-2-(4-methylphenyl)-N-propylbutan-1-amine
CID 79436715
N-[3-cyclopentyl-2-(4-methylphenyl)propyl]-2-methylpropan-2-amine
CID 79436169
2-(2-bromophenyl)-N-tert-butyl-4-propoxybutan-1-amine
CID 106457208
N-methyl-2-(4-methylphenyl)nonan-1-amine
CID 79436826
1-methyl-4-undecan-6-ylbenzene
CID 54207407
4-butoxy-2-phenylbutan-1-amine
CID 65429103

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-tert-butyl-2-(4-methylphenyl)butan-1-amine?
The IUPAC name of 4-butoxy-N-tert-butyl-2-(4-methylphenyl)butan-1-amine (CID 79430720) is 4-butoxy-N-tert-butyl-2-(4-methylphenyl)butan-1-amine.
What is the SMILES notation for 4-butoxy-N-tert-butyl-2-(4-methylphenyl)butan-1-amine?
The canonical SMILES for 4-butoxy-N-tert-butyl-2-(4-methylphenyl)butan-1-amine is CCCCOCCC(CNC(C)(C)C)c1ccc(C)cc1.
What is the InChIKey of 4-butoxy-N-tert-butyl-2-(4-methylphenyl)butan-1-amine?
The InChIKey is RAGHWGSVJWNKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-6-7-13-21-14-12-18(15-20-19(3,4)5)17-10-8-16(2)9-11-17/h8-11,18,20H,6-7,12-15H2,1-5H3.
What are the key properties of 4-butoxy-N-tert-butyl-2-(4-methylphenyl)butan-1-amine?
4-butoxy-N-tert-butyl-2-(4-methylphenyl)butan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-tert-butyl-2-(4-methylphenyl)butan-1-amine is sourced from PubChem (CID 79430720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).