2-(4-butan-2-ylphenoxy)-N-(cyclopropylmethyl)ethanamine

C16H25NO — CID 107668609

IUPAC2-(4-butan-2-ylphenoxy)-N-(cyclopropylmethyl)ethanamine
SMILESCCC(C)c1ccc(OCCNCC2CC2)cc1
InChIInChI=1S/C16H25NO/c1-3-13(2)15-6-8-16(9-7-15)18-11-10-17-12-14-4-5-14/h6-9,13-14,17H,3-5,10-12H2,1-2H3
InChIKeyBITHHCDZKHHCAJ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.58
Rot. Bonds8

About 2-(4-butan-2-ylphenoxy)-N-(cyclopropylmethyl)ethanamine

2-(4-butan-2-ylphenoxy)-N-(cyclopropylmethyl)ethanamine (PubChem CID 107668609) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenoxy)-N-(cyclopropylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-butan-2-ylphenoxy)-N-(cyclopropylmethyl)ethanamine
PubChem CID107668609
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(4-butan-2-ylphenoxy)-N-(cyclopropylmethyl)ethanamine
SMILESCCC(C)c1ccc(OCCNCC2CC2)cc1
InChIInChI=1S/C16H25NO/c1-3-13(2)15-6-8-16(9-7-15)18-11-10-17-12-14-4-5-14/h6-9,13-14,17H,3-5,10-12H2,1-2H3
InChIKeyBITHHCDZKHHCAJ-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.58
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-(4-butan-2-ylphenoxy)-N-methylethanamine
CID 107664179
N-(cyclopropylmethyl)-2-(4-propylphenoxy)ethanamine
CID 62583832
N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]ethanamine
CID 62599303
1-butan-2-yl-4-(2-cyclopropyloxyethoxy)benzene
CID 166703301
(2S)-N-[3-[4-[(2R)-butan-2-yl]phenoxy]propyl]butan-2-amine
CID 2182699
1-butan-2-yl-4-(cyclopropylmethoxymethoxy)benzene
CID 107669089
5-(4-butan-2-ylphenoxy)-N-ethylpentan-1-amine
CID 107668328
2-(4-butan-2-ylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 107668554
2-(4-butan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 107668633
N-[(4-bromothiophen-2-yl)methyl]-2-(4-butan-2-ylphenoxy)ethanamine
CID 107668574
4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)butanamide
CID 107667971
2-(4-tert-butylphenoxy)-N-(cyclohexylmethyl)ethanamine
CID 60664263

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenoxy)-N-(cyclopropylmethyl)ethanamine?
The IUPAC name of 2-(4-butan-2-ylphenoxy)-N-(cyclopropylmethyl)ethanamine (CID 107668609) is 2-(4-butan-2-ylphenoxy)-N-(cyclopropylmethyl)ethanamine.
What is the SMILES notation for 2-(4-butan-2-ylphenoxy)-N-(cyclopropylmethyl)ethanamine?
The canonical SMILES for 2-(4-butan-2-ylphenoxy)-N-(cyclopropylmethyl)ethanamine is CCC(C)c1ccc(OCCNCC2CC2)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenoxy)-N-(cyclopropylmethyl)ethanamine?
The InChIKey is BITHHCDZKHHCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-13(2)15-6-8-16(9-7-15)18-11-10-17-12-14-4-5-14/h6-9,13-14,17H,3-5,10-12H2,1-2H3.
What are the key properties of 2-(4-butan-2-ylphenoxy)-N-(cyclopropylmethyl)ethanamine?
2-(4-butan-2-ylphenoxy)-N-(cyclopropylmethyl)ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenoxy)-N-(cyclopropylmethyl)ethanamine is sourced from PubChem (CID 107668609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).