3-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine

C16H27N — CID 62529551

IUPAC3-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
SMILESCc1ccccc1CC(CNC(C)C)C(C)C
InChIInChI=1S/C16H27N/c1-12(2)16(11-17-13(3)4)10-15-9-7-6-8-14(15)5/h6-9,12-13,16-17H,10-11H2,1-5H3
InChIKeyUXIRHSNHEYIXCG-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.81
Rot. Bonds6

About 3-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine

3-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine (PubChem CID 62529551) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
PubChem CID62529551
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
SMILESCc1ccccc1CC(CNC(C)C)C(C)C
InChIInChI=1S/C16H27N/c1-12(2)16(11-17-13(3)4)10-15-9-7-6-8-14(15)5/h6-9,12-13,16-17H,10-11H2,1-5H3
InChIKeyUXIRHSNHEYIXCG-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 63522041
1-[2-(chloromethyl)-3-methylbutyl]-2-methylbenzene
CID 66036572
N-(2-methoxyethyl)-3-methyl-2-[(2-methylphenyl)methyl]butan-1-amine
CID 62718997
2-(methoxymethyl)-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 103984383
4-methyl-3-[(2-methylphenyl)methyl]pentanenitrile
CID 570616
2-[(2-methylphenyl)methyl]-N-propan-2-yl-4-propan-2-yloxybutan-1-amine
CID 62516134
N-ethyl-3-methyl-1-(2-methylphenyl)butan-2-amine
CID 60818877
3-methyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 62529354
2-[(5-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 63521943
N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646
2,3-dimethyl-4-(2-methylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 81017881
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine (CID 62529551) is 3-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine is Cc1ccccc1CC(CNC(C)C)C(C)C.
What is the InChIKey of 3-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine?
The InChIKey is UXIRHSNHEYIXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-12(2)16(11-17-13(3)4)10-15-9-7-6-8-14(15)5/h6-9,12-13,16-17H,10-11H2,1-5H3.
What are the key properties of 3-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine?
3-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62529551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).