4-methoxy-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pentan-2-amine

C18H31NO — CID 43712720

IUPAC4-methoxy-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)NC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H31NO/c1-13(2)16-8-10-17(11-9-16)15(4)19-14(3)12-18(5,6)20-7/h8-11,13-15,19H,12H2,1-7H3
InChIKeyIQPWHHNJGGWUOJ-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.66
Rot. Bonds7

About 4-methoxy-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pentan-2-amine

4-methoxy-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pentan-2-amine (PubChem CID 43712720) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pentan-2-amine
PubChem CID43712720
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name4-methoxy-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)NC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H31NO/c1-13(2)16-8-10-17(11-9-16)15(4)19-14(3)12-18(5,6)20-7/h8-11,13-15,19H,12H2,1-7H3
InChIKeyIQPWHHNJGGWUOJ-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-2-amine
CID 81349447
4-methoxy-4-methyl-N-[(1S)-1-phenylethyl]pentan-2-amine
CID 81351575
4-methoxy-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pentan-2-amine
CID 43693156
N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 43147148
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 43689410
4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylpentan-2-amine
CID 81396657
1-methylsulfanyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine
CID 113261798
4-methoxy-4-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81399712
3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butan-2-amine
CID 104827855
N-[1-(4-tert-butylphenyl)ethyl]-1-methoxypropan-2-amine
CID 43191865
4-methoxy-4-methyl-N-(3-methyl-1-phenylbutyl)pentan-2-amine
CID 43711889
4-methyl-4-phenyl-N-[(1R)-1-phenylethyl]pentan-2-amine
CID 81351069

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pentan-2-amine (CID 43712720) is 4-methoxy-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pentan-2-amine is COC(C)(C)CC(C)NC(C)c1ccc(C(C)C)cc1.
What is the InChIKey of 4-methoxy-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pentan-2-amine?
The InChIKey is IQPWHHNJGGWUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-13(2)16-8-10-17(11-9-16)15(4)19-14(3)12-18(5,6)20-7/h8-11,13-15,19H,12H2,1-7H3.
What are the key properties of 4-methoxy-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pentan-2-amine?
4-methoxy-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pentan-2-amine has a molecular weight of 277.45 g/mol, XLogP of 4.66, 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-[1-(4-propan-2-ylphenyl)ethyl]pentan-2-amine is sourced from PubChem (CID 43712720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).