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

C14H23N — CID 60690388

IUPACN-[(3,5-dimethylphenyl)methyl]-3-methylbutan-2-amine
SMILESCc1cc(C)cc(CNC(C)C(C)C)c1
InChIInChI=1S/C14H23N/c1-10(2)13(5)15-9-14-7-11(3)6-12(4)8-14/h6-8,10,13,15H,9H2,1-5H3
InChIKeyXQWGSFZKEBAHTQ-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.44
Rot. Bonds4

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

N-[(3,5-dimethylphenyl)methyl]-3-methylbutan-2-amine (PubChem CID 60690388) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methyl]-3-methylbutan-2-amine
PubChem CID60690388
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-[(3,5-dimethylphenyl)methyl]-3-methylbutan-2-amine
SMILESCc1cc(C)cc(CNC(C)C(C)C)c1
InChIInChI=1S/C14H23N/c1-10(2)13(5)15-9-14-7-11(3)6-12(4)8-14/h6-8,10,13,15H,9H2,1-5H3
InChIKeyXQWGSFZKEBAHTQ-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
CID 43085077
1-chloro-N-[(3,5-dimethylphenyl)methyl]-3-methylbutan-2-amine
CID 79259499
1-bromo-N-[(3,5-dimethylphenyl)methyl]propan-2-amine
CID 107859724
N-[(3,5-dimethylphenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639704
(2R)-N-[(3,4-dimethylphenyl)methyl]-3-methylbutan-2-amine
CID 93026402
N-[(4-bromo-3-methylphenyl)methyl]-3-methylbutan-2-amine
CID 66472384
(1R)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 81395487
1-chloro-N-[(3,5-dimethylphenyl)methyl]-4-methylpentan-2-amine
CID 65025716
(1S)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 81386110
1-(3,5-dimethylphenyl)-N,3,4-trimethylpentan-2-amine
CID 115800285
2-[(3,5-dimethylphenyl)methylamino]-N,N-dimethylpropanamide
CID 54983664
(2S)-3-methyl-N-(pyridin-4-ylmethyl)butan-2-amine
CID 28669868

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methyl]-3-methylbutan-2-amine?
The IUPAC name of N-[(3,5-dimethylphenyl)methyl]-3-methylbutan-2-amine (CID 60690388) is N-[(3,5-dimethylphenyl)methyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[(3,5-dimethylphenyl)methyl]-3-methylbutan-2-amine is Cc1cc(C)cc(CNC(C)C(C)C)c1.
What is the InChIKey of N-[(3,5-dimethylphenyl)methyl]-3-methylbutan-2-amine?
The InChIKey is XQWGSFZKEBAHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-10(2)13(5)15-9-14-7-11(3)6-12(4)8-14/h6-8,10,13,15H,9H2,1-5H3.
What are the key properties of N-[(3,5-dimethylphenyl)methyl]-3-methylbutan-2-amine?
N-[(3,5-dimethylphenyl)methyl]-3-methylbutan-2-amine has a molecular weight of 205.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)methyl]-3-methylbutan-2-amine is sourced from PubChem (CID 60690388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).