N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine

C16H25NO — CID 64987111

IUPACN-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1OCC)C1CCC1
InChIInChI=1S/C16H25NO/c1-3-12-17-16(13-8-7-9-13)14-10-5-6-11-15(14)18-4-2/h5-6,10-11,13,16-17H,3-4,7-9,12H2,1-2H3
InChIKeyRYESYRZHDQRWMN-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.93
Rot. Bonds7

About N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine

N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine (PubChem CID 64987111) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine
PubChem CID64987111
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1OCC)C1CCC1
InChIInChI=1S/C16H25NO/c1-3-12-17-16(13-8-7-9-13)14-10-5-6-11-15(14)18-4-2/h5-6,10-11,13,16-17H,3-4,7-9,12H2,1-2H3
InChIKeyRYESYRZHDQRWMN-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 62802061
N-[(2-ethoxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107188648
N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine
CID 64984085
1-cyclopentyl-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 62801897
N-[oxan-4-yl-(2-propoxyphenyl)methyl]propan-1-amine
CID 104660281
N-[6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792664
N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 64986702
N-[1-cyclopentyl-2-(2-ethoxyphenoxy)ethyl]propan-1-amine
CID 104748399
[(2-ethoxyphenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105210206
N-[6-bicyclo[3.1.0]hexanyl-(2-ethoxyphenyl)methyl]ethanamine
CID 115853710
N-[cyclopentyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 63413337
N-[(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]propan-1-amine
CID 43493938

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine (CID 64987111) is N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine is CCCNC(c1ccccc1OCC)C1CCC1.
What is the InChIKey of N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine?
The InChIKey is RYESYRZHDQRWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-12-17-16(13-8-7-9-13)14-10-5-6-11-15(14)18-4-2/h5-6,10-11,13,16-17H,3-4,7-9,12H2,1-2H3.
What are the key properties of N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine?
N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 64987111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).