(2-methylphenyl)-(1-methylpiperazin-2-yl)methanamine

C13H21N3 — CID 116941308

IUPAC(2-methylphenyl)-(1-methylpiperazin-2-yl)methanamine
SMILESCc1ccccc1C(N)C1CNCCN1C
InChIInChI=1S/C13H21N3/c1-10-5-3-4-6-11(10)13(14)12-9-15-7-8-16(12)2/h3-6,12-13,15H,7-9,14H2,1-2H3
InChIKeyDJXMSRICHXMVBK-UHFFFAOYSA-N
MW219.33 g/mol
LogP0.90
Rot. Bonds2

About (2-methylphenyl)-(1-methylpiperazin-2-yl)methanamine

(2-methylphenyl)-(1-methylpiperazin-2-yl)methanamine (PubChem CID 116941308) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is (2-methylphenyl)-(1-methylpiperazin-2-yl)methanamine.

Molecular Properties

Compound Name(2-methylphenyl)-(1-methylpiperazin-2-yl)methanamine
PubChem CID116941308
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name(2-methylphenyl)-(1-methylpiperazin-2-yl)methanamine
SMILESCc1ccccc1C(N)C1CNCCN1C
InChIInChI=1S/C13H21N3/c1-10-5-3-4-6-11(10)13(14)12-9-15-7-8-16(12)2/h3-6,12-13,15H,7-9,14H2,1-2H3
InChIKeyDJXMSRICHXMVBK-UHFFFAOYSA-N
XLogP0.90
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941246
(2,5-dimethoxyphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941249
(3-methylphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941309
(2-methyl-1H-indol-3-yl)-(1-methylpiperazin-2-yl)methanamine
CID 116941281
(1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanamine
CID 116941283
N-methyl-1-(1-methylpiperazin-2-yl)-1-phenylmethanamine
CID 116956619
(3-fluoro-4-methoxyphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941250
N-[(1R)-1-(2-methylphenyl)ethyl]piperidin-3-amine
CID 81373256
2-methyl-1-(2-methylphenyl)-3-piperazin-1-ylpropan-1-amine
CID 116946622
1-[(1S)-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171280303
1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine
CID 171280314
1-[2-(2-methylphenyl)propyl]piperazine
CID 82509211

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-(1-methylpiperazin-2-yl)methanamine?
The IUPAC name of (2-methylphenyl)-(1-methylpiperazin-2-yl)methanamine (CID 116941308) is (2-methylphenyl)-(1-methylpiperazin-2-yl)methanamine.
What is the SMILES notation for (2-methylphenyl)-(1-methylpiperazin-2-yl)methanamine?
The canonical SMILES for (2-methylphenyl)-(1-methylpiperazin-2-yl)methanamine is Cc1ccccc1C(N)C1CNCCN1C.
What is the InChIKey of (2-methylphenyl)-(1-methylpiperazin-2-yl)methanamine?
The InChIKey is DJXMSRICHXMVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-5-3-4-6-11(10)13(14)12-9-15-7-8-16(12)2/h3-6,12-13,15H,7-9,14H2,1-2H3.
What are the key properties of (2-methylphenyl)-(1-methylpiperazin-2-yl)methanamine?
(2-methylphenyl)-(1-methylpiperazin-2-yl)methanamine has a molecular weight of 219.33 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-(1-methylpiperazin-2-yl)methanamine is sourced from PubChem (CID 116941308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).