3,3-dimethyl-2-[(2-methylphenoxy)methyl]butan-1-amine

C14H23NO — CID 117242353

IUPAC3,3-dimethyl-2-[(2-methylphenoxy)methyl]butan-1-amine
SMILESCc1ccccc1OCC(CN)C(C)(C)C
InChIInChI=1S/C14H23NO/c1-11-7-5-6-8-13(11)16-10-12(9-15)14(2,3)4/h5-8,12H,9-10,15H2,1-4H3
InChIKeyQWRGHIONEMBHNO-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.99
Rot. Bonds4

About 3,3-dimethyl-2-[(2-methylphenoxy)methyl]butan-1-amine

3,3-dimethyl-2-[(2-methylphenoxy)methyl]butan-1-amine (PubChem CID 117242353) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3,3-dimethyl-2-[(2-methylphenoxy)methyl]butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-2-[(2-methylphenoxy)methyl]butan-1-amine
PubChem CID117242353
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3,3-dimethyl-2-[(2-methylphenoxy)methyl]butan-1-amine
SMILESCc1ccccc1OCC(CN)C(C)(C)C
InChIInChI=1S/C14H23NO/c1-11-7-5-6-8-13(11)16-10-12(9-15)14(2,3)4/h5-8,12H,9-10,15H2,1-4H3
InChIKeyQWRGHIONEMBHNO-UHFFFAOYSA-N
XLogP2.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[(2-methylphenoxy)methyl]butan-1-amine
CID 117242351
1-[2-(bromomethyl)-3,3-dimethylbutoxy]-2,3-dimethylbenzene
CID 65014456
3,3,3-trifluoro-2-[(2-methoxyphenoxy)methyl]propan-1-amine
CID 103366694
ethene;(2-methylphenoxy)methanamine
CID 174405951
(1S)-2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride
CID 164614673
1-methyl-2-(2,2,3,3-tetramethylbutoxy)benzene
CID 158477998
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
1-(2-cyclopropylpropoxy)-2-methylbenzene;methanamine
CID 142361084
methyl 2-methyl-3-(2-methylphenoxy)propanoate
CID 43537668
1-[4-(aminomethyl)phenoxy]-3-(2-methylphenoxy)propan-2-ol
CID 43531505
2-(2-methylphenoxy)-1-pyridin-4-ylethanol
CID 117246457
2-(2-methylphenoxy)-1-thiophen-2-ylethanol
CID 117240007

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-[(2-methylphenoxy)methyl]butan-1-amine?
The IUPAC name of 3,3-dimethyl-2-[(2-methylphenoxy)methyl]butan-1-amine (CID 117242353) is 3,3-dimethyl-2-[(2-methylphenoxy)methyl]butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-2-[(2-methylphenoxy)methyl]butan-1-amine?
The canonical SMILES for 3,3-dimethyl-2-[(2-methylphenoxy)methyl]butan-1-amine is Cc1ccccc1OCC(CN)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-2-[(2-methylphenoxy)methyl]butan-1-amine?
The InChIKey is QWRGHIONEMBHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11-7-5-6-8-13(11)16-10-12(9-15)14(2,3)4/h5-8,12H,9-10,15H2,1-4H3.
What are the key properties of 3,3-dimethyl-2-[(2-methylphenoxy)methyl]butan-1-amine?
3,3-dimethyl-2-[(2-methylphenoxy)methyl]butan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-[(2-methylphenoxy)methyl]butan-1-amine is sourced from PubChem (CID 117242353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).