4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine

C14H23NO — CID 43118963

IUPAC4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine
SMILESCc1ccc(C(C)C)c(OCCC(C)N)c1
InChIInChI=1S/C14H23NO/c1-10(2)13-6-5-11(3)9-14(13)16-8-7-12(4)15/h5-6,9-10,12H,7-8,15H2,1-4H3
InChIKeySVLLOIIPULRNKY-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.23
Rot. Bonds5

About 4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine

4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine (PubChem CID 43118963) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine.

Molecular Properties

Compound Name4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine
PubChem CID43118963
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine
SMILESCc1ccc(C(C)C)c(OCCC(C)N)c1
InChIInChI=1S/C14H23NO/c1-10(2)13-6-5-11(3)9-14(13)16-8-7-12(4)15/h5-6,9-10,12H,7-8,15H2,1-4H3
InChIKeySVLLOIIPULRNKY-UHFFFAOYSA-N
XLogP3.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]butan-1-amine
CID 63506069
(1R)-1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethanamine
CID 63639630
butyl-methyl-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]azanium
CID 2581375
(1R)-1-(2-butoxy-4-methylphenyl)ethanamine
CID 63639629
2-methoxy-N-(2-methoxyethyl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine
CID 5262022
5-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]hexan-2-amine
CID 63504935
(1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine
CID 104647105
2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 681895
5-(2-fluoro-5-methylphenoxy)pentan-2-amine
CID 64853835
2-(5-methyl-2-propan-2-ylphenoxy)-1-phenylethanamine
CID 43100574
(1R)-1-[2-(3,3-dimethylbutoxy)-4-methylphenyl]ethanamine
CID 78946993
[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 22688691

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine?
The IUPAC name of 4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine (CID 43118963) is 4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine.
What is the SMILES notation for 4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine?
The canonical SMILES for 4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine is Cc1ccc(C(C)C)c(OCCC(C)N)c1.
What is the InChIKey of 4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine?
The InChIKey is SVLLOIIPULRNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10(2)13-6-5-11(3)9-14(13)16-8-7-12(4)15/h5-6,9-10,12H,7-8,15H2,1-4H3.
What are the key properties of 4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine?
4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine is sourced from PubChem (CID 43118963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).