5-(2-butan-2-ylphenoxy)-N-tert-butylpentan-1-amine

C19H33NO — CID 63498593

IUPAC5-(2-butan-2-ylphenoxy)-N-tert-butylpentan-1-amine
SMILESCCC(C)c1ccccc1OCCCCCNC(C)(C)C
InChIInChI=1S/C19H33NO/c1-6-16(2)17-12-8-9-13-18(17)21-15-11-7-10-14-20-19(3,4)5/h8-9,12-13,16,20H,6-7,10-11,14-15H2,1-5H3
InChIKeySRJJZNKNMXJUKZ-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.14
Rot. Bonds9

About 5-(2-butan-2-ylphenoxy)-N-tert-butylpentan-1-amine

5-(2-butan-2-ylphenoxy)-N-tert-butylpentan-1-amine (PubChem CID 63498593) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 5-(2-butan-2-ylphenoxy)-N-tert-butylpentan-1-amine.

Molecular Properties

Compound Name5-(2-butan-2-ylphenoxy)-N-tert-butylpentan-1-amine
PubChem CID63498593
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name5-(2-butan-2-ylphenoxy)-N-tert-butylpentan-1-amine
SMILESCCC(C)c1ccccc1OCCCCCNC(C)(C)C
InChIInChI=1S/C19H33NO/c1-6-16(2)17-12-8-9-13-18(17)21-15-11-7-10-14-20-19(3,4)5/h8-9,12-13,16,20H,6-7,10-11,14-15H2,1-5H3
InChIKeySRJJZNKNMXJUKZ-UHFFFAOYSA-N
XLogP5.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.14
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-[3-(2-butan-2-ylphenoxy)propyl]butan-1-amine
CID 2923717
N-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]butan-1-amine
CID 2299738
N-tert-butyl-4-(2-methoxyphenoxy)butan-1-amine
CID 2248871
N-[3-(2-butan-2-ylphenoxy)propyl]-3-methoxypropan-1-amine
CID 2923118
N-[2-(2-butan-2-ylphenoxy)ethyl]-2-butoxyaniline
CID 54801693
N-tert-butyl-6-naphthalen-1-yloxyhexan-1-amine
CID 58251909
N-ethyl-5-(2-propan-2-ylphenoxy)pentan-1-amine
CID 55077101
N-[2-(2-butan-2-ylphenoxy)ethyl]prop-2-en-1-amine
CID 62572475
N-[2-(2-butan-2-ylphenoxy)ethyl]-2-ethoxyaniline
CID 54798092
4-[2-[(2R)-butan-2-yl]phenoxy]-N,N-diethylbutan-1-amine
CID 2298137
N-[1-(2-hexoxyphenyl)ethyl]octan-1-amine
CID 54807415
2-(2-butan-2-ylphenoxy)ethanolate
CID 164822470

Frequently Asked Questions

What is the IUPAC name of 5-(2-butan-2-ylphenoxy)-N-tert-butylpentan-1-amine?
The IUPAC name of 5-(2-butan-2-ylphenoxy)-N-tert-butylpentan-1-amine (CID 63498593) is 5-(2-butan-2-ylphenoxy)-N-tert-butylpentan-1-amine.
What is the SMILES notation for 5-(2-butan-2-ylphenoxy)-N-tert-butylpentan-1-amine?
The canonical SMILES for 5-(2-butan-2-ylphenoxy)-N-tert-butylpentan-1-amine is CCC(C)c1ccccc1OCCCCCNC(C)(C)C.
What is the InChIKey of 5-(2-butan-2-ylphenoxy)-N-tert-butylpentan-1-amine?
The InChIKey is SRJJZNKNMXJUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-6-16(2)17-12-8-9-13-18(17)21-15-11-7-10-14-20-19(3,4)5/h8-9,12-13,16,20H,6-7,10-11,14-15H2,1-5H3.
What are the key properties of 5-(2-butan-2-ylphenoxy)-N-tert-butylpentan-1-amine?
5-(2-butan-2-ylphenoxy)-N-tert-butylpentan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butan-2-ylphenoxy)-N-tert-butylpentan-1-amine is sourced from PubChem (CID 63498593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).