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

C15H25NO — CID 54849222

IUPACN-[(3-butan-2-yloxyphenyl)methyl]butan-2-amine
SMILESCCC(C)NCc1cccc(OC(C)CC)c1
InChIInChI=1S/C15H25NO/c1-5-12(3)16-11-14-8-7-9-15(10-14)17-13(4)6-2/h7-10,12-13,16H,5-6,11H2,1-4H3
InChIKeyGSCCGOCJSVYTNE-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.75
Rot. Bonds7

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

N-[(3-butan-2-yloxyphenyl)methyl]butan-2-amine (PubChem CID 54849222) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(3-butan-2-yloxyphenyl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(3-butan-2-yloxyphenyl)methyl]butan-2-amine
PubChem CID54849222
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[(3-butan-2-yloxyphenyl)methyl]butan-2-amine
SMILESCCC(C)NCc1cccc(OC(C)CC)c1
InChIInChI=1S/C15H25NO/c1-5-12(3)16-11-14-8-7-9-15(10-14)17-13(4)6-2/h7-10,12-13,16H,5-6,11H2,1-4H3
InChIKeyGSCCGOCJSVYTNE-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245134
N-[(3-butan-2-yloxyphenyl)methyl]ethanamine
CID 43278347
(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
CID 40726178
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
(2S)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 29186893
4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine
CID 61210556
(2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol
CID 114985581
N-[(3-butan-2-yloxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 54849186
(2S)-N-[[3-[(3-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 51993520
N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine
CID 61003374

Frequently Asked Questions

What is the IUPAC name of N-[(3-butan-2-yloxyphenyl)methyl]butan-2-amine?
The IUPAC name of N-[(3-butan-2-yloxyphenyl)methyl]butan-2-amine (CID 54849222) is N-[(3-butan-2-yloxyphenyl)methyl]butan-2-amine.
What is the SMILES notation for N-[(3-butan-2-yloxyphenyl)methyl]butan-2-amine?
The canonical SMILES for N-[(3-butan-2-yloxyphenyl)methyl]butan-2-amine is CCC(C)NCc1cccc(OC(C)CC)c1.
What is the InChIKey of N-[(3-butan-2-yloxyphenyl)methyl]butan-2-amine?
The InChIKey is GSCCGOCJSVYTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-12(3)16-11-14-8-7-9-15(10-14)17-13(4)6-2/h7-10,12-13,16H,5-6,11H2,1-4H3.
What are the key properties of N-[(3-butan-2-yloxyphenyl)methyl]butan-2-amine?
N-[(3-butan-2-yloxyphenyl)methyl]butan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.75, 7 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]butan-2-amine is sourced from PubChem (CID 54849222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).