1-(4-tert-butylphenyl)-4-methoxy-4-methylpentan-2-amine

C17H29NO — CID 103025092

IUPAC1-(4-tert-butylphenyl)-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(N)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO/c1-16(2,3)14-9-7-13(8-10-14)11-15(18)12-17(4,5)19-6/h7-10,15H,11-12,18H2,1-6H3
InChIKeyJMDLEWPASJJPBJ-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.67
Rot. Bonds5

About 1-(4-tert-butylphenyl)-4-methoxy-4-methylpentan-2-amine

1-(4-tert-butylphenyl)-4-methoxy-4-methylpentan-2-amine (PubChem CID 103025092) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-4-methoxy-4-methylpentan-2-amine
PubChem CID103025092
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(4-tert-butylphenyl)-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(N)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO/c1-16(2,3)14-9-7-13(8-10-14)11-15(18)12-17(4,5)19-6/h7-10,15H,11-12,18H2,1-6H3
InChIKeyJMDLEWPASJJPBJ-UHFFFAOYSA-N
XLogP3.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-4-methoxy-4-methylpentan-2-amine
CID 103024928
1-(3,5-difluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103029524
1-(4-tert-butylphenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65132105
1-(4-tert-butylphenyl)octan-2-amine
CID 115842872
2-amino-3-(4-tert-butylphenyl)propan-1-ol;carbamic acid
CID 174822105
(3R)-3-amino-4-(4-tert-butylphenyl)butan-2-one;ethane
CID 143606958
ethyl 2-amino-3-(4-tert-butylphenyl)propanoate
CID 3527165
1-(4-tert-butylphenyl)-4-phenylbutan-2-amine
CID 63417179
1-(4-tert-butylphenyl)-3-cyclobutylpropan-2-amine
CID 103168467
4-amino-5-(4-tert-butylphenyl)pentanoic acid
CID 62961688
1-(4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 61079242
4-[(2R)-2-amino-4,4-dimethylpentyl]phenol
CID 96616484

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-4-methoxy-4-methylpentan-2-amine (CID 103025092) is 1-(4-tert-butylphenyl)-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-4-methoxy-4-methylpentan-2-amine is COC(C)(C)CC(N)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-4-methoxy-4-methylpentan-2-amine?
The InChIKey is JMDLEWPASJJPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-16(2,3)14-9-7-13(8-10-14)11-15(18)12-17(4,5)19-6/h7-10,15H,11-12,18H2,1-6H3.
What are the key properties of 1-(4-tert-butylphenyl)-4-methoxy-4-methylpentan-2-amine?
1-(4-tert-butylphenyl)-4-methoxy-4-methylpentan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 103025092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).