[2-methyl-5-(pentan-3-ylamino)phenyl]methyl acetate

C15H23NO2 — CID 12940762

IUPAC[2-methyl-5-(pentan-3-ylamino)phenyl]methyl acetate
SMILESCCC(CC)Nc1ccc(C)c(COC(C)=O)c1
InChIInChI=1S/C15H23NO2/c1-5-14(6-2)16-15-8-7-11(3)13(9-15)10-18-12(4)17/h7-9,14,16H,5-6,10H2,1-4H3
InChIKeyZEKXYXRAOCRPKQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.66
Rot. Bonds6

About [2-methyl-5-(pentan-3-ylamino)phenyl]methyl acetate

[2-methyl-5-(pentan-3-ylamino)phenyl]methyl acetate (PubChem CID 12940762) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [2-methyl-5-(pentan-3-ylamino)phenyl]methyl acetate.

Molecular Properties

Compound Name[2-methyl-5-(pentan-3-ylamino)phenyl]methyl acetate
PubChem CID12940762
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[2-methyl-5-(pentan-3-ylamino)phenyl]methyl acetate
SMILESCCC(CC)Nc1ccc(C)c(COC(C)=O)c1
InChIInChI=1S/C15H23NO2/c1-5-14(6-2)16-15-8-7-11(3)13(9-15)10-18-12(4)17/h7-9,14,16H,5-6,10H2,1-4H3
InChIKeyZEKXYXRAOCRPKQ-UHFFFAOYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-4-(pentan-3-ylamino)phenyl]acetamide
CID 43672883
[2-methyl-5-(pentan-3-ylamino)phenyl] N-methylcarbamate
CID 23622010
ethane;(2-methylphenyl)methyl acetate
CID 143177732
ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate
CID 43703992
[4-(butan-2-ylamino)phenyl]methyl acetate;methane;molecular hydrogen
CID 153350084
[3,5-dimethyl-4-(propan-2-ylamino)phenyl]methyl acetate
CID 59656979
(5-acetamido-2-nitrophenyl)methyl acetate
CID 12004239
N-[4-(butan-2-ylamino)-2-methylphenyl]acetamide
CID 43672867
1-N,1-N,2-trimethyl-4-N-pentan-3-ylbenzene-1,4-diamine
CID 115929102
2-methyl-4-(pentan-3-ylamino)benzenecarbothioamide
CID 81279004
(3-acetamido-2,4-dimethylphenyl)methyl acetate
CID 141195730
2-methyl-5-[[(2S,3R)-3-methylpentan-2-yl]amino]benzamide
CID 99821199

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-(pentan-3-ylamino)phenyl]methyl acetate?
The IUPAC name of [2-methyl-5-(pentan-3-ylamino)phenyl]methyl acetate (CID 12940762) is [2-methyl-5-(pentan-3-ylamino)phenyl]methyl acetate.
What is the SMILES notation for [2-methyl-5-(pentan-3-ylamino)phenyl]methyl acetate?
The canonical SMILES for [2-methyl-5-(pentan-3-ylamino)phenyl]methyl acetate is CCC(CC)Nc1ccc(C)c(COC(C)=O)c1.
What is the InChIKey of [2-methyl-5-(pentan-3-ylamino)phenyl]methyl acetate?
The InChIKey is ZEKXYXRAOCRPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-14(6-2)16-15-8-7-11(3)13(9-15)10-18-12(4)17/h7-9,14,16H,5-6,10H2,1-4H3.
What are the key properties of [2-methyl-5-(pentan-3-ylamino)phenyl]methyl acetate?
[2-methyl-5-(pentan-3-ylamino)phenyl]methyl acetate has a molecular weight of 249.35 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-(pentan-3-ylamino)phenyl]methyl acetate is sourced from PubChem (CID 12940762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).