[3-methyl-2-(2-methylidenebutoxy)phenyl]methanamine

C13H19NO — CID 112607493

IUPAC[3-methyl-2-(2-methylidenebutoxy)phenyl]methanamine
SMILESC=C(CC)COc1c(C)cccc1CN
InChIInChI=1S/C13H19NO/c1-4-10(2)9-15-13-11(3)6-5-7-12(13)8-14/h5-7H,2,4,8-9,14H2,1,3H3
InChIKeyOKLVLPUOFZNGNS-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.80
Rot. Bonds5

About [3-methyl-2-(2-methylidenebutoxy)phenyl]methanamine

[3-methyl-2-(2-methylidenebutoxy)phenyl]methanamine (PubChem CID 112607493) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is [3-methyl-2-(2-methylidenebutoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-methyl-2-(2-methylidenebutoxy)phenyl]methanamine
PubChem CID112607493
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name[3-methyl-2-(2-methylidenebutoxy)phenyl]methanamine
SMILESC=C(CC)COc1c(C)cccc1CN
InChIInChI=1S/C13H19NO/c1-4-10(2)9-15-13-11(3)6-5-7-12(13)8-14/h5-7H,2,4,8-9,14H2,1,3H3
InChIKeyOKLVLPUOFZNGNS-UHFFFAOYSA-N
XLogP2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-2-(2-methylidenebutoxy)benzene
CID 83056814
[3-fluoro-2-(2-methylidenebutoxy)phenyl]methanamine
CID 112608162
2-methyl-N-[[3-methyl-2-(2-methylidenebutoxy)phenyl]methyl]propan-1-amine
CID 112610261
[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-methylphenyl]methanamine
CID 106437083
(2-decoxy-3-methylphenyl)methanamine
CID 115951875
1-[2-(aminomethyl)-6-methylphenoxy]propan-2-ol
CID 112607256
[2-(3-methoxypropoxy)-3-methylphenyl]methanamine
CID 112607496
(3-methyl-2-phosphanyloxyphenyl)methanamine
CID 143384001
2-[2-(aminomethyl)-6-methylphenoxy]-N-cyclopentylacetamide
CID 112607289
[3-methyl-2-(2-phenylethoxy)phenyl]methanamine
CID 112607242
3-[[2-(aminomethyl)-6-methylphenoxy]methyl]phenol
CID 112607358
1-[3-ethoxy-2-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 66040201

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(2-methylidenebutoxy)phenyl]methanamine?
The IUPAC name of [3-methyl-2-(2-methylidenebutoxy)phenyl]methanamine (CID 112607493) is [3-methyl-2-(2-methylidenebutoxy)phenyl]methanamine.
What is the SMILES notation for [3-methyl-2-(2-methylidenebutoxy)phenyl]methanamine?
The canonical SMILES for [3-methyl-2-(2-methylidenebutoxy)phenyl]methanamine is C=C(CC)COc1c(C)cccc1CN.
What is the InChIKey of [3-methyl-2-(2-methylidenebutoxy)phenyl]methanamine?
The InChIKey is OKLVLPUOFZNGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-10(2)9-15-13-11(3)6-5-7-12(13)8-14/h5-7H,2,4,8-9,14H2,1,3H3.
What are the key properties of [3-methyl-2-(2-methylidenebutoxy)phenyl]methanamine?
[3-methyl-2-(2-methylidenebutoxy)phenyl]methanamine has a molecular weight of 205.30 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(2-methylidenebutoxy)phenyl]methanamine is sourced from PubChem (CID 112607493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).