2,2-dimethyl-3-(3-methylphenoxy)-N-(2-methylpropyl)propan-1-amine

C16H27NO — CID 79626708

IUPAC2,2-dimethyl-3-(3-methylphenoxy)-N-(2-methylpropyl)propan-1-amine
SMILESCc1cccc(OCC(C)(C)CNCC(C)C)c1
InChIInChI=1S/C16H27NO/c1-13(2)10-17-11-16(4,5)12-18-15-8-6-7-14(3)9-15/h6-9,13,17H,10-12H2,1-5H3
InChIKeyNTYIIDOQIGQRQT-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.65
Rot. Bonds7

About 2,2-dimethyl-3-(3-methylphenoxy)-N-(2-methylpropyl)propan-1-amine

2,2-dimethyl-3-(3-methylphenoxy)-N-(2-methylpropyl)propan-1-amine (PubChem CID 79626708) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2,2-dimethyl-3-(3-methylphenoxy)-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(3-methylphenoxy)-N-(2-methylpropyl)propan-1-amine
PubChem CID79626708
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2,2-dimethyl-3-(3-methylphenoxy)-N-(2-methylpropyl)propan-1-amine
SMILESCc1cccc(OCC(C)(C)CNCC(C)C)c1
InChIInChI=1S/C16H27NO/c1-13(2)10-17-11-16(4,5)12-18-15-8-6-7-14(3)9-15/h6-9,13,17H,10-12H2,1-5H3
InChIKeyNTYIIDOQIGQRQT-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-(4-methylphenoxy)-N-(2-methylpropyl)propan-1-amine
CID 79627194
2,2-dimethyl-3-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)propan-1-amine
CID 79619901
3-(4-bromo-3-fluorophenoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 79626121
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
2-methyl-2-(3-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 62595545
2-methyl-N-[[3-[(3-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63497350
3-(2-bromo-4-methoxyphenoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 104708435
3-(3-tert-butylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79628807
N-ethyl-3-(3-ethylphenoxy)-2,2-dimethylpropan-1-amine
CID 79627888
2,2-dimethyl-N-(2-methylpropyl)-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine
CID 81341307
1-methyl-3-(2,4,4-trimethylpentoxy)benzene
CID 163995199
2-methyl-1-[3-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol
CID 114492020

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(3-methylphenoxy)-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(3-methylphenoxy)-N-(2-methylpropyl)propan-1-amine (CID 79626708) is 2,2-dimethyl-3-(3-methylphenoxy)-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(3-methylphenoxy)-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(3-methylphenoxy)-N-(2-methylpropyl)propan-1-amine is Cc1cccc(OCC(C)(C)CNCC(C)C)c1.
What is the InChIKey of 2,2-dimethyl-3-(3-methylphenoxy)-N-(2-methylpropyl)propan-1-amine?
The InChIKey is NTYIIDOQIGQRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-13(2)10-17-11-16(4,5)12-18-15-8-6-7-14(3)9-15/h6-9,13,17H,10-12H2,1-5H3.
What are the key properties of 2,2-dimethyl-3-(3-methylphenoxy)-N-(2-methylpropyl)propan-1-amine?
2,2-dimethyl-3-(3-methylphenoxy)-N-(2-methylpropyl)propan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(3-methylphenoxy)-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 79626708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).