4-methoxy-2,2-dimethyl-N-(1-phenylpropyl)butan-1-amine

C16H27NO — CID 104624237

IUPAC4-methoxy-2,2-dimethyl-N-(1-phenylpropyl)butan-1-amine
SMILESCCC(NCC(C)(C)CCOC)c1ccccc1
InChIInChI=1S/C16H27NO/c1-5-15(14-9-7-6-8-10-14)17-13-16(2,3)11-12-18-4/h6-10,15,17H,5,11-13H2,1-4H3
InChIKeyFOYAVTINTZBRFX-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.79
Rot. Bonds8

About 4-methoxy-2,2-dimethyl-N-(1-phenylpropyl)butan-1-amine

4-methoxy-2,2-dimethyl-N-(1-phenylpropyl)butan-1-amine (PubChem CID 104624237) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-methoxy-2,2-dimethyl-N-(1-phenylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-2,2-dimethyl-N-(1-phenylpropyl)butan-1-amine
PubChem CID104624237
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-methoxy-2,2-dimethyl-N-(1-phenylpropyl)butan-1-amine
SMILESCCC(NCC(C)(C)CCOC)c1ccccc1
InChIInChI=1S/C16H27NO/c1-5-15(14-9-7-6-8-10-14)17-13-16(2,3)11-12-18-4/h6-10,15,17H,5,11-13H2,1-4H3
InChIKeyFOYAVTINTZBRFX-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-2,2-dimethyl-N-(1-phenylbutyl)butan-1-amine
CID 104628715
N-(2-methoxy-1-phenylethyl)-2,2-dimethylbutan-1-amine
CID 103464764
methyl 2,2-dimethyl-3-(1-phenylpropylamino)propanoate
CID 79623966
2-methyl-1-[[(1R)-1-phenylpropyl]amino]propan-2-ol
CID 94396195
4-methoxy-1-[1-(4-methoxyphenyl)propylamino]-2-methylbutan-2-ol
CID 103784224
1-[1-(4-bromophenyl)propylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784328
2-phenyl-1-(1-phenylpropylamino)propan-2-ol
CID 62374681
N-(2-methoxyethyl)-2-(1-phenylpropylamino)acetamide
CID 54845797
(1R)-N-(2,2-dimethoxyethyl)-1-phenylpropan-1-amine
CID 93314160
4-[(3,3-dimethyl-1-phenylbutyl)amino]-3,3-dimethylbutan-1-ol
CID 103921676
1-N-(2-methoxy-1-phenylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 103463479
4-[1-(4-ethylphenyl)propylamino]-3,3-dimethylbutan-1-ol
CID 103787569

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,2-dimethyl-N-(1-phenylpropyl)butan-1-amine?
The IUPAC name of 4-methoxy-2,2-dimethyl-N-(1-phenylpropyl)butan-1-amine (CID 104624237) is 4-methoxy-2,2-dimethyl-N-(1-phenylpropyl)butan-1-amine.
What is the SMILES notation for 4-methoxy-2,2-dimethyl-N-(1-phenylpropyl)butan-1-amine?
The canonical SMILES for 4-methoxy-2,2-dimethyl-N-(1-phenylpropyl)butan-1-amine is CCC(NCC(C)(C)CCOC)c1ccccc1.
What is the InChIKey of 4-methoxy-2,2-dimethyl-N-(1-phenylpropyl)butan-1-amine?
The InChIKey is FOYAVTINTZBRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-15(14-9-7-6-8-10-14)17-13-16(2,3)11-12-18-4/h6-10,15,17H,5,11-13H2,1-4H3.
What are the key properties of 4-methoxy-2,2-dimethyl-N-(1-phenylpropyl)butan-1-amine?
4-methoxy-2,2-dimethyl-N-(1-phenylpropyl)butan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,2-dimethyl-N-(1-phenylpropyl)butan-1-amine is sourced from PubChem (CID 104624237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).