N-[2-(2-methylphenoxy)butyl]-2-propan-2-ylaniline

C20H27NO — CID 54800392

IUPACN-[2-(2-methylphenoxy)butyl]-2-propan-2-ylaniline
SMILESCCC(CNc1ccccc1C(C)C)Oc1ccccc1C
InChIInChI=1S/C20H27NO/c1-5-17(22-20-13-9-6-10-16(20)4)14-21-19-12-8-7-11-18(19)15(2)3/h6-13,15,17,21H,5,14H2,1-4H3
InChIKeyQXAPCXDYNCHYQO-UHFFFAOYSA-N
MW297.44 g/mol
LogP5.39
Rot. Bonds7

About N-[2-(2-methylphenoxy)butyl]-2-propan-2-ylaniline

N-[2-(2-methylphenoxy)butyl]-2-propan-2-ylaniline (PubChem CID 54800392) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[2-(2-methylphenoxy)butyl]-2-propan-2-ylaniline.

Molecular Properties

Compound NameN-[2-(2-methylphenoxy)butyl]-2-propan-2-ylaniline
PubChem CID54800392
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC NameN-[2-(2-methylphenoxy)butyl]-2-propan-2-ylaniline
SMILESCCC(CNc1ccccc1C(C)C)Oc1ccccc1C
InChIInChI=1S/C20H27NO/c1-5-17(22-20-13-9-6-10-16(20)4)14-21-19-12-8-7-11-18(19)15(2)3/h6-13,15,17,21H,5,14H2,1-4H3
InChIKeyQXAPCXDYNCHYQO-UHFFFAOYSA-N
XLogP5.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.44
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2-(2-methylphenoxy)butan-1-amine
CID 46736333
N-[2-(2-butan-2-ylphenoxy)butyl]-2-(2-methylpropoxy)aniline
CID 54799985
3-chloro-4-methyl-N-[2-(2-methylphenoxy)butyl]aniline
CID 54797627
N-[2-(2-butan-2-ylphenoxy)butyl]-2-(oxolan-2-ylmethoxy)aniline
CID 54803003
N-(2-phenoxypropyl)-2-propan-2-ylaniline
CID 54800400
N-(2,3-dimethylbutyl)-2-propan-2-ylaniline
CID 150228795
N-[2-(2-methylphenoxy)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111824393
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)butyl]butanamide
CID 119819943
2-methyl-1-[2-(2-methylphenoxy)butyl]guanidine;hydroiodide
CID 111800301
2-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 46763608
2-(2-methylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83045581
N-(2-ethylbutyl)-2-methylaniline
CID 29290197

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenoxy)butyl]-2-propan-2-ylaniline?
The IUPAC name of N-[2-(2-methylphenoxy)butyl]-2-propan-2-ylaniline (CID 54800392) is N-[2-(2-methylphenoxy)butyl]-2-propan-2-ylaniline.
What is the SMILES notation for N-[2-(2-methylphenoxy)butyl]-2-propan-2-ylaniline?
The canonical SMILES for N-[2-(2-methylphenoxy)butyl]-2-propan-2-ylaniline is CCC(CNc1ccccc1C(C)C)Oc1ccccc1C.
What is the InChIKey of N-[2-(2-methylphenoxy)butyl]-2-propan-2-ylaniline?
The InChIKey is QXAPCXDYNCHYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-5-17(22-20-13-9-6-10-16(20)4)14-21-19-12-8-7-11-18(19)15(2)3/h6-13,15,17,21H,5,14H2,1-4H3.
What are the key properties of N-[2-(2-methylphenoxy)butyl]-2-propan-2-ylaniline?
N-[2-(2-methylphenoxy)butyl]-2-propan-2-ylaniline has a molecular weight of 297.44 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenoxy)butyl]-2-propan-2-ylaniline is sourced from PubChem (CID 54800392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).