4-methoxy-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-2-amine

C16H27NO — CID 81349447

IUPAC4-methoxy-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)N[C@H](C)c1ccc(C)cc1
InChIInChI=1S/C16H27NO/c1-12-7-9-15(10-8-12)14(3)17-13(2)11-16(4,5)18-6/h7-10,13-14,17H,11H2,1-6H3/t13?,14-/m1/s1
InChIKeyAEMVFCAYEDPIPB-ARLHGKGLSA-N
MW249.40 g/mol
LogP3.85
Rot. Bonds6

About 4-methoxy-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-2-amine

4-methoxy-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-2-amine (PubChem CID 81349447) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-2-amine
PubChem CID81349447
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-methoxy-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)N[C@H](C)c1ccc(C)cc1
InChIInChI=1S/C16H27NO/c1-12-7-9-15(10-8-12)14(3)17-13(2)11-16(4,5)18-6/h7-10,13-14,17H,11H2,1-6H3/t13?,14-/m1/s1
InChIKeyAEMVFCAYEDPIPB-ARLHGKGLSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pentan-2-amine
CID 43712720
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
(2R)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 93082887
2-N-[1-(4-methylphenyl)ethyl]propane-1,2-diamine
CID 103389165
methyl 3-[1-(4-methylphenyl)ethylamino]butanoate
CID 54963886
4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylpentan-2-amine
CID 81396657
4-methoxy-4-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81399712
N-[(2S)-4-methoxy-4-methylpentan-2-yl]-1-(4-methylphenyl)cyclopropan-1-amine
CID 125437104
N-[1-(4-tert-butylphenyl)ethyl]-1-methoxypropan-2-amine
CID 43191865

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-2-amine (CID 81349447) is 4-methoxy-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-2-amine is COC(C)(C)CC(C)N[C@H](C)c1ccc(C)cc1.
What is the InChIKey of 4-methoxy-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-2-amine?
The InChIKey is AEMVFCAYEDPIPB-ARLHGKGLSA-N. The full InChI is InChI=1S/C16H27NO/c1-12-7-9-15(10-8-12)14(3)17-13(2)11-16(4,5)18-6/h7-10,13-14,17H,11H2,1-6H3/t13?,14-/m1/s1.
What are the key properties of 4-methoxy-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-2-amine?
4-methoxy-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.85, 6 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-[(1R)-1-(4-methylphenyl)ethyl]pentan-2-amine is sourced from PubChem (CID 81349447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).