3-[(4-tert-butylphenyl)methyl]-4-methylpentan-2-amine

C17H29N — CID 63401736

IUPAC3-[(4-tert-butylphenyl)methyl]-4-methylpentan-2-amine
SMILESCC(C)C(Cc1ccc(C(C)(C)C)cc1)C(C)N
InChIInChI=1S/C17H29N/c1-12(2)16(13(3)18)11-14-7-9-15(10-8-14)17(4,5)6/h7-10,12-13,16H,11,18H2,1-6H3
InChIKeyLFYUZAZUFTUYOS-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.15
Rot. Bonds4

About 3-[(4-tert-butylphenyl)methyl]-4-methylpentan-2-amine

3-[(4-tert-butylphenyl)methyl]-4-methylpentan-2-amine (PubChem CID 63401736) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)methyl]-4-methylpentan-2-amine.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)methyl]-4-methylpentan-2-amine
PubChem CID63401736
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name3-[(4-tert-butylphenyl)methyl]-4-methylpentan-2-amine
SMILESCC(C)C(Cc1ccc(C(C)(C)C)cc1)C(C)N
InChIInChI=1S/C17H29N/c1-12(2)16(13(3)18)11-14-7-9-15(10-8-14)17(4,5)6/h7-10,12-13,16H,11,18H2,1-6H3
InChIKeyLFYUZAZUFTUYOS-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butylphenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65132105
1-tert-butyl-4-(2,4,5,5-tetramethylhexyl)benzene
CID 57303246
1-tert-butyl-4-(2-methylbutyl)benzene;ethane
CID 156874515
1-(4-tert-butylphenyl)-3-methylsulfonylbutan-2-amine
CID 115842897
1-(4-tert-butylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 116945713
(3R)-3-amino-4-(4-tert-butylphenyl)butan-2-one;ethane
CID 143606958
4-(4-tert-butylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015179
1-(4-tert-butylphenyl)-4-methoxy-4-methylpentan-2-amine
CID 103025092
6-(4-tert-butylphenyl)-2-methylhexan-3-amine
CID 64504626
1-[2-(1-chloroethyl)-3-methylbutyl]-4-(trifluoromethyl)benzene
CID 63472261
1-[4-(2-iodopropan-2-yl)phenyl]propan-2-amine
CID 67657815
(2S,3R,4S)-2-amino-1-(4-tert-butylphenyl)-6-methylheptane-3,4-diol
CID 57286742

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenyl)methyl]-4-methylpentan-2-amine?
The IUPAC name of 3-[(4-tert-butylphenyl)methyl]-4-methylpentan-2-amine (CID 63401736) is 3-[(4-tert-butylphenyl)methyl]-4-methylpentan-2-amine.
What is the SMILES notation for 3-[(4-tert-butylphenyl)methyl]-4-methylpentan-2-amine?
The canonical SMILES for 3-[(4-tert-butylphenyl)methyl]-4-methylpentan-2-amine is CC(C)C(Cc1ccc(C(C)(C)C)cc1)C(C)N.
What is the InChIKey of 3-[(4-tert-butylphenyl)methyl]-4-methylpentan-2-amine?
The InChIKey is LFYUZAZUFTUYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-12(2)16(13(3)18)11-14-7-9-15(10-8-14)17(4,5)6/h7-10,12-13,16H,11,18H2,1-6H3.
What are the key properties of 3-[(4-tert-butylphenyl)methyl]-4-methylpentan-2-amine?
3-[(4-tert-butylphenyl)methyl]-4-methylpentan-2-amine has a molecular weight of 247.43 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)methyl]-4-methylpentan-2-amine is sourced from PubChem (CID 63401736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).