4-methoxy-4-methyl-N-(2-phenylpropyl)pentan-2-amine

C16H27NO — CID 43147178

IUPAC4-methoxy-4-methyl-N-(2-phenylpropyl)pentan-2-amine
SMILESCOC(C)(C)CC(C)NCC(C)c1ccccc1
InChIInChI=1S/C16H27NO/c1-13(15-9-7-6-8-10-15)12-17-14(2)11-16(3,4)18-5/h6-10,13-14,17H,11-12H2,1-5H3
InChIKeyFWHZMYDZZXUALZ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.58
Rot. Bonds7

About 4-methoxy-4-methyl-N-(2-phenylpropyl)pentan-2-amine

4-methoxy-4-methyl-N-(2-phenylpropyl)pentan-2-amine (PubChem CID 43147178) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-(2-phenylpropyl)pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-(2-phenylpropyl)pentan-2-amine
PubChem CID43147178
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-methoxy-4-methyl-N-(2-phenylpropyl)pentan-2-amine
SMILESCOC(C)(C)CC(C)NCC(C)c1ccccc1
InChIInChI=1S/C16H27NO/c1-13(15-9-7-6-8-10-15)12-17-14(2)11-16(3,4)18-5/h6-10,13-14,17H,11-12H2,1-5H3
InChIKeyFWHZMYDZZXUALZ-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
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
4-methoxy-4-methyl-N-(3-methyl-1-phenylbutyl)pentan-2-amine
CID 43711889
(2R)-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]-2-phenylpropan-1-amine
CID 124616994
(2S)-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]-2-phenylpropan-1-amine
CID 124616995
4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54861814
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
(3-methoxy-3-methyl-1-phenylbutyl)hydrazine
CID 103025167
4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54896409
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylpropan-1-amine
CID 81397712
N-(2-phenylpropyl)nonan-2-amine
CID 43130018
3-amino-N-(4-methoxy-4-methylpentan-2-yl)-3-phenylpropanamide;hydrochloride
CID 119952044
N-(2,2-diphenylethyl)-4-methoxybutan-2-amine
CID 103746904

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-(2-phenylpropyl)pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-(2-phenylpropyl)pentan-2-amine (CID 43147178) is 4-methoxy-4-methyl-N-(2-phenylpropyl)pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-(2-phenylpropyl)pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-(2-phenylpropyl)pentan-2-amine is COC(C)(C)CC(C)NCC(C)c1ccccc1.
What is the InChIKey of 4-methoxy-4-methyl-N-(2-phenylpropyl)pentan-2-amine?
The InChIKey is FWHZMYDZZXUALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-13(15-9-7-6-8-10-15)12-17-14(2)11-16(3,4)18-5/h6-10,13-14,17H,11-12H2,1-5H3.
What are the key properties of 4-methoxy-4-methyl-N-(2-phenylpropyl)pentan-2-amine?
4-methoxy-4-methyl-N-(2-phenylpropyl)pentan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.58, 7 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-(2-phenylpropyl)pentan-2-amine is sourced from PubChem (CID 43147178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).