1-[5-methyl-2-(3-methylbutoxy)phenyl]ethanamine

C14H23NO — CID 43504992

IUPAC1-[5-methyl-2-(3-methylbutoxy)phenyl]ethanamine
SMILESCc1ccc(OCCC(C)C)c(C(C)N)c1
InChIInChI=1S/C14H23NO/c1-10(2)7-8-16-14-6-5-11(3)9-13(14)12(4)15/h5-6,9-10,12H,7-8,15H2,1-4H3
InChIKeyCCVXXUWFFMULKB-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.44
Rot. Bonds5

About 1-[5-methyl-2-(3-methylbutoxy)phenyl]ethanamine

1-[5-methyl-2-(3-methylbutoxy)phenyl]ethanamine (PubChem CID 43504992) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-[5-methyl-2-(3-methylbutoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-methyl-2-(3-methylbutoxy)phenyl]ethanamine
PubChem CID43504992
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-[5-methyl-2-(3-methylbutoxy)phenyl]ethanamine
SMILESCc1ccc(OCCC(C)C)c(C(C)N)c1
InChIInChI=1S/C14H23NO/c1-10(2)7-8-16-14-6-5-11(3)9-13(14)12(4)15/h5-6,9-10,12H,7-8,15H2,1-4H3
InChIKeyCCVXXUWFFMULKB-UHFFFAOYSA-N
XLogP3.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(3-fluoropropoxy)-5-methylphenyl]ethanamine
CID 81106656
(1S)-1-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]ethanamine
CID 78936500
(1S)-1-[5-methyl-2-(2-methylsulfanylethoxy)phenyl]ethanamine
CID 104863256
6-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]hexan-1-ol
CID 107702679
4-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]butanenitrile
CID 78936428
1-[2-(3-ethoxypropoxy)-5-methylphenyl]ethanamine
CID 65176238
1-[5-methyl-2-(3-methylbutoxy)phenyl]propan-2-amine
CID 55200535
(1S)-1-(5-methyl-2-pent-3-ynoxyphenyl)ethanamine
CID 104805203
1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 114471489
1-[2-[2-(diethylamino)ethoxy]-5-methylphenyl]ethanamine
CID 43505039
1-[2-(methoxymethoxy)-5-methylphenyl]ethanamine
CID 65365858
1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 43505054

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(3-methylbutoxy)phenyl]ethanamine?
The IUPAC name of 1-[5-methyl-2-(3-methylbutoxy)phenyl]ethanamine (CID 43504992) is 1-[5-methyl-2-(3-methylbutoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[5-methyl-2-(3-methylbutoxy)phenyl]ethanamine?
The canonical SMILES for 1-[5-methyl-2-(3-methylbutoxy)phenyl]ethanamine is Cc1ccc(OCCC(C)C)c(C(C)N)c1.
What is the InChIKey of 1-[5-methyl-2-(3-methylbutoxy)phenyl]ethanamine?
The InChIKey is CCVXXUWFFMULKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10(2)7-8-16-14-6-5-11(3)9-13(14)12(4)15/h5-6,9-10,12H,7-8,15H2,1-4H3.
What are the key properties of 1-[5-methyl-2-(3-methylbutoxy)phenyl]ethanamine?
1-[5-methyl-2-(3-methylbutoxy)phenyl]ethanamine has a molecular weight of 221.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-(3-methylbutoxy)phenyl]ethanamine is sourced from PubChem (CID 43504992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).