3-methyl-1-(2-methyl-5-propan-2-ylphenyl)butan-1-amine

C15H25N — CID 82493939

IUPAC3-methyl-1-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
SMILESCc1ccc(C(C)C)cc1C(N)CC(C)C
InChIInChI=1S/C15H25N/c1-10(2)8-15(16)14-9-13(11(3)4)7-6-12(14)5/h6-7,9-11,15H,8,16H2,1-5H3
InChIKeyYHWGRYBAVRISDN-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.16
Rot. Bonds4

About 3-methyl-1-(2-methyl-5-propan-2-ylphenyl)butan-1-amine

3-methyl-1-(2-methyl-5-propan-2-ylphenyl)butan-1-amine (PubChem CID 82493939) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 3-methyl-1-(2-methyl-5-propan-2-ylphenyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
PubChem CID82493939
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name3-methyl-1-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
SMILESCc1ccc(C(C)C)cc1C(N)CC(C)C
InChIInChI=1S/C15H25N/c1-10(2)8-15(16)14-9-13(11(3)4)7-6-12(14)5/h6-7,9-11,15H,8,16H2,1-5H3
InChIKeyYHWGRYBAVRISDN-UHFFFAOYSA-N
XLogP4.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-methyl-5-propan-2-ylphenyl)propan-1-amine
CID 55296635
1-(2-fluoro-5-propan-2-ylphenyl)-3-methylbutan-1-amine
CID 83988506
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171216456
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
(1S)-3-methyl-1-(3-propan-2-ylphenyl)butan-1-amine
CID 71074498
3-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 82492113
5-methyl-3-(2-methyl-5-propan-2-ylphenyl)hexanoic acid
CID 112516981
5-amino-5-(2-methyl-5-propan-2-ylphenyl)pentanoic acid
CID 116937856
3-amino-N'-methyl-3-(2-methyl-5-propan-2-ylphenyl)propanehydrazide
CID 116849694
1-(2,5-dimethylphenyl)butane-1,3-diamine
CID 116933200
(1S)-1-(3-chloro-4-methylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171223999
N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine
CID 116855714

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methyl-5-propan-2-ylphenyl)butan-1-amine?
The IUPAC name of 3-methyl-1-(2-methyl-5-propan-2-ylphenyl)butan-1-amine (CID 82493939) is 3-methyl-1-(2-methyl-5-propan-2-ylphenyl)butan-1-amine.
What is the SMILES notation for 3-methyl-1-(2-methyl-5-propan-2-ylphenyl)butan-1-amine?
The canonical SMILES for 3-methyl-1-(2-methyl-5-propan-2-ylphenyl)butan-1-amine is Cc1ccc(C(C)C)cc1C(N)CC(C)C.
What is the InChIKey of 3-methyl-1-(2-methyl-5-propan-2-ylphenyl)butan-1-amine?
The InChIKey is YHWGRYBAVRISDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-10(2)8-15(16)14-9-13(11(3)4)7-6-12(14)5/h6-7,9-11,15H,8,16H2,1-5H3.
What are the key properties of 3-methyl-1-(2-methyl-5-propan-2-ylphenyl)butan-1-amine?
3-methyl-1-(2-methyl-5-propan-2-ylphenyl)butan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methyl-5-propan-2-ylphenyl)butan-1-amine is sourced from PubChem (CID 82493939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).