2-methyl-N-[[3-methyl-2-(2-methylidenebutoxy)phenyl]methyl]propan-1-amine

C17H27NO — CID 112610261

IUPAC2-methyl-N-[[3-methyl-2-(2-methylidenebutoxy)phenyl]methyl]propan-1-amine
SMILESC=C(CC)COc1c(C)cccc1CNCC(C)C
InChIInChI=1S/C17H27NO/c1-6-14(4)12-19-17-15(5)8-7-9-16(17)11-18-10-13(2)3/h7-9,13,18H,4,6,10-12H2,1-3,5H3
InChIKeyRTVWQBIVWIYRQB-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.09
Rot. Bonds8

About 2-methyl-N-[[3-methyl-2-(2-methylidenebutoxy)phenyl]methyl]propan-1-amine

2-methyl-N-[[3-methyl-2-(2-methylidenebutoxy)phenyl]methyl]propan-1-amine (PubChem CID 112610261) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-methyl-N-[[3-methyl-2-(2-methylidenebutoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-methyl-2-(2-methylidenebutoxy)phenyl]methyl]propan-1-amine
PubChem CID112610261
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-methyl-N-[[3-methyl-2-(2-methylidenebutoxy)phenyl]methyl]propan-1-amine
SMILESC=C(CC)COc1c(C)cccc1CNCC(C)C
InChIInChI=1S/C17H27NO/c1-6-14(4)12-19-17-15(5)8-7-9-16(17)11-18-10-13(2)3/h7-9,13,18H,4,6,10-12H2,1-3,5H3
InChIKeyRTVWQBIVWIYRQB-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.09
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

N-[[3-ethoxy-2-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 66046626
propan-2-yl 2-[2-methyl-6-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 115954358
[3-methyl-2-(2-methylidenebutoxy)phenyl]methanamine
CID 112607493
2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-1-amine
CID 112610248
1,3-dimethyl-2-(2-methylidenebutoxy)benzene
CID 83056814
N-[[2-(3-methoxypropoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 112610263
N-[[5-chloro-3-methoxy-2-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 104665122
N-[(2-but-3-ynoxy-3-methylphenyl)methyl]-2-methylpropan-1-amine
CID 112610235
N-[[2-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 115954328
2-methyl-N-[[3-methyl-2-(2,2,2-trifluoroethoxymethoxy)phenyl]methyl]propan-1-amine
CID 106704768
2-methyl-N-[[3-methyl-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 115954356
N-[[3-fluoro-2-(2-methylidenebutoxy)phenyl]methyl]propan-2-amine
CID 112610694

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-methyl-2-(2-methylidenebutoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-methyl-2-(2-methylidenebutoxy)phenyl]methyl]propan-1-amine (CID 112610261) is 2-methyl-N-[[3-methyl-2-(2-methylidenebutoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-methyl-2-(2-methylidenebutoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-methyl-2-(2-methylidenebutoxy)phenyl]methyl]propan-1-amine is C=C(CC)COc1c(C)cccc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[3-methyl-2-(2-methylidenebutoxy)phenyl]methyl]propan-1-amine?
The InChIKey is RTVWQBIVWIYRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-6-14(4)12-19-17-15(5)8-7-9-16(17)11-18-10-13(2)3/h7-9,13,18H,4,6,10-12H2,1-3,5H3.
What are the key properties of 2-methyl-N-[[3-methyl-2-(2-methylidenebutoxy)phenyl]methyl]propan-1-amine?
2-methyl-N-[[3-methyl-2-(2-methylidenebutoxy)phenyl]methyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-methyl-2-(2-methylidenebutoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 112610261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).