N-butan-2-yl-2-(2-methylphenoxy)butan-1-amine

C15H25NO — CID 46736333

IUPACN-butan-2-yl-2-(2-methylphenoxy)butan-1-amine
SMILESCCC(C)NCC(CC)Oc1ccccc1C
InChIInChI=1S/C15H25NO/c1-5-13(4)16-11-14(6-2)17-15-10-8-7-9-12(15)3/h7-10,13-14,16H,5-6,11H2,1-4H3
InChIKeyZLRXPNIPFMUIJI-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.54
Rot. Bonds7

About N-butan-2-yl-2-(2-methylphenoxy)butan-1-amine

N-butan-2-yl-2-(2-methylphenoxy)butan-1-amine (PubChem CID 46736333) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-butan-2-yl-2-(2-methylphenoxy)butan-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-2-(2-methylphenoxy)butan-1-amine
PubChem CID46736333
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-butan-2-yl-2-(2-methylphenoxy)butan-1-amine
SMILESCCC(C)NCC(CC)Oc1ccccc1C
InChIInChI=1S/C15H25NO/c1-5-13(4)16-11-14(6-2)17-15-10-8-7-9-12(15)3/h7-10,13-14,16H,5-6,11H2,1-4H3
InChIKeyZLRXPNIPFMUIJI-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83045581
N-[2-(2-methylphenoxy)butyl]-2-propan-2-ylaniline
CID 54800392
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 27319633
3-chloro-4-methyl-N-[2-(2-methylphenoxy)butyl]aniline
CID 54797627
2-methyl-1-[2-(2-methylphenoxy)butyl]guanidine;hydroiodide
CID 111800301
N-methyl-2-(2-methylphenoxy)pentan-1-amine
CID 83045023
2-(2-phenylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62449487
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)butyl]butanamide
CID 119819943
N-[2-(2-propan-2-ylphenoxy)propyl]butan-2-amine
CID 62572033
2-(5-bromo-2-methylphenoxy)-N-propan-2-ylbutan-1-amine
CID 107286035
1,2-dimethyl-3-pentan-3-yloxybenzene
CID 103432359
N-[2-(2-methylphenoxy)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111824393

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2-methylphenoxy)butan-1-amine?
The IUPAC name of N-butan-2-yl-2-(2-methylphenoxy)butan-1-amine (CID 46736333) is N-butan-2-yl-2-(2-methylphenoxy)butan-1-amine.
What is the SMILES notation for N-butan-2-yl-2-(2-methylphenoxy)butan-1-amine?
The canonical SMILES for N-butan-2-yl-2-(2-methylphenoxy)butan-1-amine is CCC(C)NCC(CC)Oc1ccccc1C.
What is the InChIKey of N-butan-2-yl-2-(2-methylphenoxy)butan-1-amine?
The InChIKey is ZLRXPNIPFMUIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-13(4)16-11-14(6-2)17-15-10-8-7-9-12(15)3/h7-10,13-14,16H,5-6,11H2,1-4H3.
What are the key properties of N-butan-2-yl-2-(2-methylphenoxy)butan-1-amine?
N-butan-2-yl-2-(2-methylphenoxy)butan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2-methylphenoxy)butan-1-amine is sourced from PubChem (CID 46736333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).