4-methoxy-4-methyl-N-(3-methyl-1-phenylbutyl)pentan-2-amine

C18H31NO — CID 43711889

IUPAC4-methoxy-4-methyl-N-(3-methyl-1-phenylbutyl)pentan-2-amine
SMILESCOC(C)(C)CC(C)NC(CC(C)C)c1ccccc1
InChIInChI=1S/C18H31NO/c1-14(2)12-17(16-10-8-7-9-11-16)19-15(3)13-18(4,5)20-6/h7-11,14-15,17,19H,12-13H2,1-6H3
InChIKeyHDZIXJWINZRMTQ-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.57
Rot. Bonds8

About 4-methoxy-4-methyl-N-(3-methyl-1-phenylbutyl)pentan-2-amine

4-methoxy-4-methyl-N-(3-methyl-1-phenylbutyl)pentan-2-amine (PubChem CID 43711889) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-(3-methyl-1-phenylbutyl)pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-(3-methyl-1-phenylbutyl)pentan-2-amine
PubChem CID43711889
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name4-methoxy-4-methyl-N-(3-methyl-1-phenylbutyl)pentan-2-amine
SMILESCOC(C)(C)CC(C)NC(CC(C)C)c1ccccc1
InChIInChI=1S/C18H31NO/c1-14(2)12-17(16-10-8-7-9-11-16)19-15(3)13-18(4,5)20-6/h7-11,14-15,17,19H,12-13H2,1-6H3
InChIKeyHDZIXJWINZRMTQ-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-4-methyl-N-[(1S)-1-phenylethyl]pentan-2-amine
CID 81351575
3-methyl-1-phenyl-N-(1-phenylethyl)butan-1-amine
CID 43081295
3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351399
2,6-dimethyl-N-(3-methyl-1-phenylbutyl)heptan-4-amine
CID 63438592
4-methoxy-4-methyl-N-(2-phenylpropyl)pentan-2-amine
CID 43147178
(3-methoxy-3-methyl-1-phenylbutyl)hydrazine
CID 103025167
3-methyl-N-pent-4-yn-2-yl-1-phenylbutan-1-amine
CID 113250291
N-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1-phenylbutan-1-amine
CID 65047919
N-(3,3-dimethyl-1-phenylbutyl)-6-methylheptan-2-amine
CID 63421587
methyl (2S)-2-[(3,3-dimethyl-1-phenylbutyl)amino]propanoate
CID 43786798
methyl 2-methyl-2-[(3-methyl-1-phenylbutyl)amino]propanoate
CID 43725966
4-methoxy-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pentan-2-amine
CID 43712720

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-(3-methyl-1-phenylbutyl)pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-(3-methyl-1-phenylbutyl)pentan-2-amine (CID 43711889) is 4-methoxy-4-methyl-N-(3-methyl-1-phenylbutyl)pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-(3-methyl-1-phenylbutyl)pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-(3-methyl-1-phenylbutyl)pentan-2-amine is COC(C)(C)CC(C)NC(CC(C)C)c1ccccc1.
What is the InChIKey of 4-methoxy-4-methyl-N-(3-methyl-1-phenylbutyl)pentan-2-amine?
The InChIKey is HDZIXJWINZRMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-14(2)12-17(16-10-8-7-9-11-16)19-15(3)13-18(4,5)20-6/h7-11,14-15,17,19H,12-13H2,1-6H3.
What are the key properties of 4-methoxy-4-methyl-N-(3-methyl-1-phenylbutyl)pentan-2-amine?
4-methoxy-4-methyl-N-(3-methyl-1-phenylbutyl)pentan-2-amine has a molecular weight of 277.45 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-N-(3-methyl-1-phenylbutyl)pentan-2-amine is sourced from PubChem (CID 43711889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).