N-[[3-(2-methylbutan-2-yloxymethyl)phenyl]methyl]propan-2-amine

C16H27NO — CID 62456237

IUPACN-[[3-(2-methylbutan-2-yloxymethyl)phenyl]methyl]propan-2-amine
SMILESCCC(C)(C)OCc1cccc(CNC(C)C)c1
InChIInChI=1S/C16H27NO/c1-6-16(4,5)18-12-15-9-7-8-14(10-15)11-17-13(2)3/h7-10,13,17H,6,11-12H2,1-5H3
InChIKeyAFQDFZOWZBQMHS-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.89
Rot. Bonds7

About N-[[3-(2-methylbutan-2-yloxymethyl)phenyl]methyl]propan-2-amine

N-[[3-(2-methylbutan-2-yloxymethyl)phenyl]methyl]propan-2-amine (PubChem CID 62456237) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[[3-(2-methylbutan-2-yloxymethyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2-methylbutan-2-yloxymethyl)phenyl]methyl]propan-2-amine
PubChem CID62456237
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[[3-(2-methylbutan-2-yloxymethyl)phenyl]methyl]propan-2-amine
SMILESCCC(C)(C)OCc1cccc(CNC(C)C)c1
InChIInChI=1S/C16H27NO/c1-6-16(4,5)18-12-15-9-7-8-14(10-15)11-17-13(2)3/h7-10,13,17H,6,11-12H2,1-5H3
InChIKeyAFQDFZOWZBQMHS-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54896409
propane;3-[(propan-2-ylamino)methyl]phenol
CID 143074534
N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine
CID 61003374
N-[[3-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine
CID 62442424
N-[[3-(2-cyclobutylethoxymethyl)phenyl]methyl]propan-2-amine
CID 106206202
N-[[3-(1,1-difluoroethyl)phenyl]methyl]propan-2-amine
CID 116992438
tert-butyl N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]carbamate
CID 21018889
N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine
CID 63943086
N-[[3-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methyl]propan-2-amine
CID 103406401
N-[[3-(2-pyrrolidin-1-ylethoxymethyl)phenyl]methyl]propan-2-amine
CID 62460740
(2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol
CID 114986461
4,4,4-trifluoro-N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine
CID 103777686

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylbutan-2-yloxymethyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2-methylbutan-2-yloxymethyl)phenyl]methyl]propan-2-amine (CID 62456237) is N-[[3-(2-methylbutan-2-yloxymethyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2-methylbutan-2-yloxymethyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2-methylbutan-2-yloxymethyl)phenyl]methyl]propan-2-amine is CCC(C)(C)OCc1cccc(CNC(C)C)c1.
What is the InChIKey of N-[[3-(2-methylbutan-2-yloxymethyl)phenyl]methyl]propan-2-amine?
The InChIKey is AFQDFZOWZBQMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-16(4,5)18-12-15-9-7-8-14(10-15)11-17-13(2)3/h7-10,13,17H,6,11-12H2,1-5H3.
What are the key properties of N-[[3-(2-methylbutan-2-yloxymethyl)phenyl]methyl]propan-2-amine?
N-[[3-(2-methylbutan-2-yloxymethyl)phenyl]methyl]propan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylbutan-2-yloxymethyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62456237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).