2-(2-cyclobutylethoxy)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine

C18H29NO — CID 106201119

IUPAC2-(2-cyclobutylethoxy)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
SMILESCNC(COCCC1CCC1)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H29NO/c1-14(2)16-7-9-17(10-8-16)18(19-3)13-20-12-11-15-5-4-6-15/h7-10,14-15,18-19H,4-6,11-13H2,1-3H3
InChIKeyYIMQFQQRFCYWLW-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.28
Rot. Bonds8

About 2-(2-cyclobutylethoxy)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine

2-(2-cyclobutylethoxy)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 106201119) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(2-cyclobutylethoxy)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-cyclobutylethoxy)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID106201119
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(2-cyclobutylethoxy)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
SMILESCNC(COCCC1CCC1)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H29NO/c1-14(2)16-7-9-17(10-8-16)18(19-3)13-20-12-11-15-5-4-6-15/h7-10,14-15,18-19H,4-6,11-13H2,1-3H3
InChIKeyYIMQFQQRFCYWLW-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.28
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-(2-cyclobutylethoxy)-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 106200984
2-(2-cyclopropylethoxy)-N-ethyl-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106200742
2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106200916
2-(2-cyclobutylethoxy)-1-(4-propan-2-yloxyphenyl)ethanol
CID 106204040
2-(2-cyclopropylethoxy)-N-ethyl-1-phenylethanamine
CID 106200509
N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43298332
2-(2-cyclobutylethoxy)-1-(4-fluorophenyl)ethanamine
CID 114157406
N-[2-(2-cyclopropylethoxy)-1-(4-ethylphenyl)ethyl]propan-1-amine
CID 106200712
2-(2-cyclobutylethoxy)-1-(3,4-dimethylphenyl)ethanamine
CID 114157408
(2S)-1-(2-cyclobutylethoxy)propan-2-ol
CID 106204019
2-(2-cyclopropylethoxy)-N-ethyl-1-naphthalen-2-ylethanamine
CID 106200656
1-[2-(2-cyclobutylethoxy)-1-iodopropan-2-yl]-4-propan-2-ylbenzene
CID 106204836

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethoxy)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-(2-cyclobutylethoxy)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine (CID 106201119) is 2-(2-cyclobutylethoxy)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-(2-cyclobutylethoxy)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-(2-cyclobutylethoxy)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine is CNC(COCCC1CCC1)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-(2-cyclobutylethoxy)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is YIMQFQQRFCYWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14(2)16-7-9-17(10-8-16)18(19-3)13-20-12-11-15-5-4-6-15/h7-10,14-15,18-19H,4-6,11-13H2,1-3H3.
What are the key properties of 2-(2-cyclobutylethoxy)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine?
2-(2-cyclobutylethoxy)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethoxy)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 106201119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).