2-[(3,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine

C15H25N — CID 62529340

IUPAC2-[(3,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
SMILESCNCC(Cc1cc(C)cc(C)c1)C(C)C
InChIInChI=1S/C15H25N/c1-11(2)15(10-16-5)9-14-7-12(3)6-13(4)8-14/h6-8,11,15-16H,9-10H2,1-5H3
InChIKeyPQTCUBZWSCBNIV-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.34
Rot. Bonds5

About 2-[(3,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine

2-[(3,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine (PubChem CID 62529340) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
PubChem CID62529340
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2-[(3,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
SMILESCNCC(Cc1cc(C)cc(C)c1)C(C)C
InChIInChI=1S/C15H25N/c1-11(2)15(10-16-5)9-14-7-12(3)6-13(4)8-14/h6-8,11,15-16H,9-10H2,1-5H3
InChIKeyPQTCUBZWSCBNIV-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3,5-dimethylphenyl)methyl]-N,3,3-trimethylbutan-1-amine
CID 83138801
1-(3,5-dimethylphenyl)-N,3,4-trimethylpentan-2-amine
CID 115800285
N,3-dimethyl-2-(1H-pyrrol-3-ylmethyl)butan-1-amine
CID 116931194
3-(3,5-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine
CID 65430220
N-methyl-2-propan-2-yl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 115252814
3-methyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 62529354
2-[(2-methoxy-4,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 116931174
N,3-dimethyl-2-[(2-methyl-5-propan-2-ylphenyl)methyl]butan-1-amine
CID 116931207
2-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 116931204
(2R)-1-(3,5-dimethylphenyl)propan-2-ol
CID 93461855
1-(3,5-dimethylphenyl)-3-methyl-4-(methylamino)butan-2-one
CID 116586729
N,3-dimethyl-2-[(2,3,4-trimethylphenyl)methyl]butan-1-amine
CID 116931239

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine?
The IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine (CID 62529340) is 2-[(3,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[(3,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine is CNCC(Cc1cc(C)cc(C)c1)C(C)C.
What is the InChIKey of 2-[(3,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine?
The InChIKey is PQTCUBZWSCBNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-11(2)15(10-16-5)9-14-7-12(3)6-13(4)8-14/h6-8,11,15-16H,9-10H2,1-5H3.
What are the key properties of 2-[(3,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine?
2-[(3,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 62529340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).