2-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]propan-2-amine

C13H22N2 — CID 59597807

IUPAC2-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]propan-2-amine
SMILESCNCc1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C13H22N2/c1-13(2,3)15-10-12-7-5-11(6-8-12)9-14-4/h5-8,14-15H,9-10H2,1-4H3
InChIKeyQTJJIFWBGCHSAZ-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.29
Rot. Bonds4

About 2-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]propan-2-amine

2-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]propan-2-amine (PubChem CID 59597807) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]propan-2-amine
PubChem CID59597807
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]propan-2-amine
SMILESCNCc1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C13H22N2/c1-13(2,3)15-10-12-7-5-11(6-8-12)9-14-4/h5-8,14-15H,9-10H2,1-4H3
InChIKeyQTJJIFWBGCHSAZ-UHFFFAOYSA-N
XLogP2.29
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]thiohydroxylamine
CID 155479405
N-[[4-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 81106411
4-[(tert-butylamino)methyl]-N,N-diethylaniline
CID 4719207
2-methyl-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propan-2-amine
CID 62446348
1-(4-tert-butylsulfanylphenyl)-N-methylmethanamine
CID 63806587
1-[4-[(tert-butylamino)methyl]phenyl]-4,4-dimethylpentane-2-thione
CID 147695400
2-methyl-N-[(4-propylsulfanylphenyl)methyl]propan-2-amine
CID 63804855
N-benzyl-2-methylpropan-2-amine;guanidine
CID 161475592
N-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63061073
1-[4-[(tert-butylamino)methyl]phenyl]sulfanyl-2-methylpropan-2-ol
CID 113384910
N-methyl-1-(4-propylphenyl)methanamine
CID 20666221

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]propan-2-amine (CID 59597807) is 2-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]propan-2-amine is CNCc1ccc(CNC(C)(C)C)cc1.
What is the InChIKey of 2-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]propan-2-amine?
The InChIKey is QTJJIFWBGCHSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-13(2,3)15-10-12-7-5-11(6-8-12)9-14-4/h5-8,14-15H,9-10H2,1-4H3.
What are the key properties of 2-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]propan-2-amine?
2-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]propan-2-amine has a molecular weight of 206.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 59597807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).