2,2-dimethyl-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine

C15H25N — CID 62724741

IUPAC2,2-dimethyl-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
SMILESCc1ccc(CC(C)(C)CNC(C)C)cc1
InChIInChI=1S/C15H25N/c1-12(2)16-11-15(4,5)10-14-8-6-13(3)7-9-14/h6-9,12,16H,10-11H2,1-5H3
InChIKeyMBYPUKUGJDLITO-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.56
Rot. Bonds5

About 2,2-dimethyl-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine

2,2-dimethyl-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine (PubChem CID 62724741) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
PubChem CID62724741
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2,2-dimethyl-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
SMILESCc1ccc(CC(C)(C)CNC(C)C)cc1
InChIInChI=1S/C15H25N/c1-12(2)16-11-15(4,5)10-14-8-6-13(3)7-9-14/h6-9,12,16H,10-11H2,1-5H3
InChIKeyMBYPUKUGJDLITO-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 62723735
N-ethyl-2,2-dimethyl-3-(4-methylphenyl)propan-1-amine
CID 62726135
1-(4-bromo-2,2-dimethylpentyl)-4-methylbenzene
CID 64716858
3,3-dimethyl-5-(4-methylphenyl)-N-propan-2-ylpentan-1-amine
CID 65304944
[2,2-dimethyl-3-(4-methylphenyl)propyl]urea
CID 20825966
4-[2,2-dimethyl-3-(4-methylphenyl)propyl]aniline
CID 170390648
2-(3,5-dimethylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62596445
1-(2,2-dimethylpent-4-enyl)-4-methylbenzene
CID 20825972
2-methyl-N-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]but-3-en-1-amine
CID 102640980
2,2-dimethyl-4-phenyl-N-propan-2-ylbutan-1-amine
CID 65308891
3-(4-ethylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79626545
3-(2-methoxy-4-methylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79626692

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine (CID 62724741) is 2,2-dimethyl-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine is Cc1ccc(CC(C)(C)CNC(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is MBYPUKUGJDLITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-12(2)16-11-15(4,5)10-14-8-6-13(3)7-9-14/h6-9,12,16H,10-11H2,1-5H3.
What are the key properties of 2,2-dimethyl-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine?
2,2-dimethyl-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62724741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).