3-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine

C14H23NO — CID 57266754

IUPAC3-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine
SMILESCc1ccc(C(C)C)c(OC(C)CCN)c1
InChIInChI=1S/C14H23NO/c1-10(2)13-6-5-11(3)9-14(13)16-12(4)7-8-15/h5-6,9-10,12H,7-8,15H2,1-4H3
InChIKeyYKYRIVHUBHMYRV-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.23
Rot. Bonds5

About 3-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine

3-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine (PubChem CID 57266754) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine.

Molecular Properties

Compound Name3-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine
PubChem CID57266754
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine
SMILESCc1ccc(C(C)C)c(OC(C)CCN)c1
InChIInChI=1S/C14H23NO/c1-10(2)13-6-5-11(3)9-14(13)16-12(4)7-8-15/h5-6,9-10,12H,7-8,15H2,1-4H3
InChIKeyYKYRIVHUBHMYRV-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

(1S)-1-(4-methyl-2-pentan-2-yloxyphenyl)ethanamine
CID 107891054
N-tert-butyl-4-(5-methyl-2-propan-2-ylphenoxy)pentan-1-amine
CID 62452811
4-methyl-2-pentan-2-yloxyaniline
CID 102980406
4-methyl-2-methylperoxy-1-propan-2-ylbenzene
CID 135233977
4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine
CID 43118963
2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 47095241
N-(2-methoxyethyl)-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-amine
CID 55088268
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62571036
[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 22688691
2-(5-methyl-2-propan-2-ylphenoxy)pentan-3-one
CID 64866513
2-[1-(5-methyl-2-propan-2-ylphenoxy)cyclobutyl]ethanamine
CID 103273552
[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 22688609

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine?
The IUPAC name of 3-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine (CID 57266754) is 3-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine.
What is the SMILES notation for 3-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine?
The canonical SMILES for 3-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine is Cc1ccc(C(C)C)c(OC(C)CCN)c1.
What is the InChIKey of 3-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine?
The InChIKey is YKYRIVHUBHMYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10(2)13-6-5-11(3)9-14(13)16-12(4)7-8-15/h5-6,9-10,12H,7-8,15H2,1-4H3.
What are the key properties of 3-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine?
3-(5-methyl-2-propan-2-ylphenoxy)butan-1-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 3-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine is sourced from PubChem (CID 57266754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).