4-[4-(2-methylbutan-2-yl)phenyl]-N-(2-methylpropyl)butan-1-amine

C19H33N — CID 66258059

IUPAC4-[4-(2-methylbutan-2-yl)phenyl]-N-(2-methylpropyl)butan-1-amine
SMILESCCC(C)(C)c1ccc(CCCCNCC(C)C)cc1
InChIInChI=1S/C19H33N/c1-6-19(4,5)18-12-10-17(11-13-18)9-7-8-14-20-15-16(2)3/h10-13,16,20H,6-9,14-15H2,1-5H3
InChIKeyHEYLHCHTULXDGI-UHFFFAOYSA-N
MW275.48 g/mol
LogP4.94
Rot. Bonds9

About 4-[4-(2-methylbutan-2-yl)phenyl]-N-(2-methylpropyl)butan-1-amine

4-[4-(2-methylbutan-2-yl)phenyl]-N-(2-methylpropyl)butan-1-amine (PubChem CID 66258059) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 4-[4-(2-methylbutan-2-yl)phenyl]-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-[4-(2-methylbutan-2-yl)phenyl]-N-(2-methylpropyl)butan-1-amine
PubChem CID66258059
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name4-[4-(2-methylbutan-2-yl)phenyl]-N-(2-methylpropyl)butan-1-amine
SMILESCCC(C)(C)c1ccc(CCCCNCC(C)C)cc1
InChIInChI=1S/C19H33N/c1-6-19(4,5)18-12-10-17(11-13-18)9-7-8-14-20-15-16(2)3/h10-13,16,20H,6-9,14-15H2,1-5H3
InChIKeyHEYLHCHTULXDGI-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.48
LogP ≤ 54.94
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

N-[3-(4-tert-butylphenyl)propyl]-2-methylpropan-1-amine
CID 63498667
5-(4-butylphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65300670
N-tert-butyl-4-[4-(2-methylbutan-2-yl)phenyl]butan-1-amine
CID 66260180
N-[4-[4-(2-methylbutan-2-yl)phenyl]butyl]cyclopropanamine
CID 66258837
6-(4-ethoxyphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65308994
4-(4-butylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 115493310
2-methyl-N-[3-(4-phenylphenyl)propyl]propan-1-amine
CID 65454764
3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]-N-propan-2-ylpentan-1-amine
CID 66258058
4-hexylphenol;4-(2-methylbutan-2-yl)phenol
CID 70208179
2,3,3-trimethyl-N-(4-phenylbutyl)butan-1-amine
CID 114333508
N-(2-methylpropyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine
CID 65308449
3-(4-iodophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79830112

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylbutan-2-yl)phenyl]-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-[4-(2-methylbutan-2-yl)phenyl]-N-(2-methylpropyl)butan-1-amine (CID 66258059) is 4-[4-(2-methylbutan-2-yl)phenyl]-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-[4-(2-methylbutan-2-yl)phenyl]-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-[4-(2-methylbutan-2-yl)phenyl]-N-(2-methylpropyl)butan-1-amine is CCC(C)(C)c1ccc(CCCCNCC(C)C)cc1.
What is the InChIKey of 4-[4-(2-methylbutan-2-yl)phenyl]-N-(2-methylpropyl)butan-1-amine?
The InChIKey is HEYLHCHTULXDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-6-19(4,5)18-12-10-17(11-13-18)9-7-8-14-20-15-16(2)3/h10-13,16,20H,6-9,14-15H2,1-5H3.
What are the key properties of 4-[4-(2-methylbutan-2-yl)phenyl]-N-(2-methylpropyl)butan-1-amine?
4-[4-(2-methylbutan-2-yl)phenyl]-N-(2-methylpropyl)butan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 4.94, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylbutan-2-yl)phenyl]-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 66258059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).