1-(4-butylphenoxy)-3-methylpentan-2-amine

C16H27NO — CID 115492419

IUPAC1-(4-butylphenoxy)-3-methylpentan-2-amine
SMILESCCCCc1ccc(OCC(N)C(C)CC)cc1
InChIInChI=1S/C16H27NO/c1-4-6-7-14-8-10-15(11-9-14)18-12-16(17)13(3)5-2/h8-11,13,16H,4-7,12,17H2,1-3H3
InChIKeyXUAFODQURZOJBQ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.78
Rot. Bonds8

About 1-(4-butylphenoxy)-3-methylpentan-2-amine

1-(4-butylphenoxy)-3-methylpentan-2-amine (PubChem CID 115492419) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(4-butylphenoxy)-3-methylpentan-2-amine.

Molecular Properties

Compound Name1-(4-butylphenoxy)-3-methylpentan-2-amine
PubChem CID115492419
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(4-butylphenoxy)-3-methylpentan-2-amine
SMILESCCCCc1ccc(OCC(N)C(C)CC)cc1
InChIInChI=1S/C16H27NO/c1-4-6-7-14-8-10-15(11-9-14)18-12-16(17)13(3)5-2/h8-11,13,16H,4-7,12,17H2,1-3H3
InChIKeyXUAFODQURZOJBQ-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-butylphenoxy)-2-methylpropan-1-amine
CID 115492916
1,3-bis(4-butylphenoxy)propan-2-ol
CID 142296403
1-(4-pentylphenoxy)propan-2-ol
CID 142276328
2-[4-(2-methylbutoxy)phenyl]ethanamine
CID 62105840
1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 10587787
[4-[(2S)-2-methylbutoxy]phenyl]-(4-nonylphenyl)diazene
CID 88604896
O-(4-butylphenyl)hydroxylamine
CID 176620577
(4-butylphenyl)-[4-(2-methylbutoxy)phenyl]imino-oxidoazanium
CID 86056798
4-[4-(2-ethylbutoxy)phenyl]butan-2-amine
CID 82926712
1-(4-ethoxyphenyl)heptan-4-amine
CID 83932178
1-[2-(bromomethyl)-3,3-dimethylbutoxy]-4-butylbenzene
CID 115492516
4-[(4-butylphenoxy)methyl]aniline
CID 115492301

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenoxy)-3-methylpentan-2-amine?
The IUPAC name of 1-(4-butylphenoxy)-3-methylpentan-2-amine (CID 115492419) is 1-(4-butylphenoxy)-3-methylpentan-2-amine.
What is the SMILES notation for 1-(4-butylphenoxy)-3-methylpentan-2-amine?
The canonical SMILES for 1-(4-butylphenoxy)-3-methylpentan-2-amine is CCCCc1ccc(OCC(N)C(C)CC)cc1.
What is the InChIKey of 1-(4-butylphenoxy)-3-methylpentan-2-amine?
The InChIKey is XUAFODQURZOJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-6-7-14-8-10-15(11-9-14)18-12-16(17)13(3)5-2/h8-11,13,16H,4-7,12,17H2,1-3H3.
What are the key properties of 1-(4-butylphenoxy)-3-methylpentan-2-amine?
1-(4-butylphenoxy)-3-methylpentan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenoxy)-3-methylpentan-2-amine is sourced from PubChem (CID 115492419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).