N-[(3-butan-2-yloxyphenyl)methyl]ethanamine

C13H21NO — CID 43278347

IUPACN-[(3-butan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNCc1cccc(OC(C)CC)c1
InChIInChI=1S/C13H21NO/c1-4-11(3)15-13-8-6-7-12(9-13)10-14-5-2/h6-9,11,14H,4-5,10H2,1-3H3
InChIKeyPGKCNQGLJWAGJF-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.97
Rot. Bonds6

About N-[(3-butan-2-yloxyphenyl)methyl]ethanamine

N-[(3-butan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 43278347) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(3-butan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-butan-2-yloxyphenyl)methyl]ethanamine
PubChem CID43278347
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[(3-butan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNCc1cccc(OC(C)CC)c1
InChIInChI=1S/C13H21NO/c1-4-11(3)15-13-8-6-7-12(9-13)10-14-5-2/h6-9,11,14H,4-5,10H2,1-3H3
InChIKeyPGKCNQGLJWAGJF-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-butan-2-yloxyphenyl)methylamino]propan-2-ol
CID 54849301
N-[(3-butan-2-yloxyphenyl)methyl]-2-phenylethanamine
CID 54804849
N-[(3-butan-2-yloxyphenyl)methyl]hexadecan-1-amine
CID 54847916
N-[(3-butan-2-yloxyphenyl)methyl]butan-2-amine
CID 54849222
N-[(3-butan-2-yloxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 54849186
2-[3-(ethylaminomethyl)phenoxy]butanoic acid
CID 64668910
[3-(ethylaminomethyl)phenyl] hypochlorite
CID 163518139
2-methyl-N-[(3-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 107890981
N-[[3-[(2R)-butan-2-yl]oxyphenyl]methyl]-2-[carbamoyl(methyl)amino]acetamide
CID 126442109
1-[[3-[(2S)-butan-2-yl]oxyphenyl]methyl]-3-cyclobutylurea
CID 125437513
1-[(3-butan-2-yloxyphenyl)methyl]-3-cyclobutylurea
CID 122559038
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787

Frequently Asked Questions

What is the IUPAC name of N-[(3-butan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-butan-2-yloxyphenyl)methyl]ethanamine (CID 43278347) is N-[(3-butan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-butan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-butan-2-yloxyphenyl)methyl]ethanamine is CCNCc1cccc(OC(C)CC)c1.
What is the InChIKey of N-[(3-butan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is PGKCNQGLJWAGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-11(3)15-13-8-6-7-12(9-13)10-14-5-2/h6-9,11,14H,4-5,10H2,1-3H3.
What are the key properties of N-[(3-butan-2-yloxyphenyl)methyl]ethanamine?
N-[(3-butan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43278347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).