3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-2-amine

C16H27NO — CID 55088741

IUPAC3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-2-amine
SMILESCC(C)c1cccc(OCCNC(C)C(C)C)c1
InChIInChI=1S/C16H27NO/c1-12(2)14(5)17-9-10-18-16-8-6-7-15(11-16)13(3)4/h6-8,11-14,17H,9-10H2,1-5H3
InChIKeyYQWXXBZVGUKMTD-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.82
Rot. Bonds7

About 3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-2-amine

3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-2-amine (PubChem CID 55088741) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-2-amine
PubChem CID55088741
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-2-amine
SMILESCC(C)c1cccc(OCCNC(C)C(C)C)c1
InChIInChI=1S/C16H27NO/c1-12(2)14(5)17-9-10-18-16-8-6-7-15(11-16)13(3)4/h6-8,11-14,17H,9-10H2,1-5H3
InChIKeyYQWXXBZVGUKMTD-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.82
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

1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-1-amine
CID 55088692
2-(3-propan-2-ylphenoxy)ethanethiol
CID 21131503
3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 60690385
2-oxo-2-[2-(3-propan-2-ylphenoxy)ethylamino]acetic acid
CID 94690399
2-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]aniline
CID 63505898
ethane;2-(3-propan-2-ylphenoxy)ethanethiol
CID 144874001
2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
CID 178200701
N-methyl-2-[3-(3-propan-2-ylphenoxy)propoxy]ethanamine
CID 82353979
1-(oxolan-2-yl)-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine
CID 62571805
2-butoxy-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine
CID 62572262
1-bromo-3-[2-(3-propan-2-ylphenoxy)ethoxy]benzene
CID 63457183

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-2-amine?
The IUPAC name of 3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-2-amine (CID 55088741) is 3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-2-amine.
What is the SMILES notation for 3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-2-amine?
The canonical SMILES for 3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-2-amine is CC(C)c1cccc(OCCNC(C)C(C)C)c1.
What is the InChIKey of 3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-2-amine?
The InChIKey is YQWXXBZVGUKMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-12(2)14(5)17-9-10-18-16-8-6-7-15(11-16)13(3)4/h6-8,11-14,17H,9-10H2,1-5H3.
What are the key properties of 3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-2-amine?
3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-2-amine is sourced from PubChem (CID 55088741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).