3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-1-amine

C16H27NO — CID 55088692

IUPAC3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-1-amine
SMILESCC(C)CCNCCOc1cccc(C(C)C)c1
InChIInChI=1S/C16H27NO/c1-13(2)8-9-17-10-11-18-16-7-5-6-15(12-16)14(3)4/h5-7,12-14,17H,8-11H2,1-4H3
InChIKeyUXXADEKIFMLCFP-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.82
Rot. Bonds8

About 3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-1-amine

3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-1-amine (PubChem CID 55088692) 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-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-1-amine
PubChem CID55088692
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-1-amine
SMILESCC(C)CCNCCOc1cccc(C(C)C)c1
InChIInChI=1S/C16H27NO/c1-13(2)8-9-17-10-11-18-16-7-5-6-15(12-16)14(3)4/h5-7,12-14,17H,8-11H2,1-4H3
InChIKeyUXXADEKIFMLCFP-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 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 ≤ 53.82
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

2-butoxy-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine
CID 62572262
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
3-methoxy-N-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]propan-1-amine
CID 2280964
N,N-diethyl-3-[2-(3-methylbutylamino)ethoxy]aniline
CID 62582853
3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 55088741
2-(3-propan-2-ylphenoxy)ethanethiol
CID 21131503
1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 23399142
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
4-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pentan-1-amine
CID 63506385

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-1-amine?
The IUPAC name of 3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-1-amine (CID 55088692) is 3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-1-amine?
The canonical SMILES for 3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-1-amine is CC(C)CCNCCOc1cccc(C(C)C)c1.
What is the InChIKey of 3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-1-amine?
The InChIKey is UXXADEKIFMLCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-13(2)8-9-17-10-11-18-16-7-5-6-15(12-16)14(3)4/h5-7,12-14,17H,8-11H2,1-4H3.
What are the key properties of 3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-1-amine?
3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.82, 8 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-1-amine is sourced from PubChem (CID 55088692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).