(3,4-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine

C14H23N3 — CID 116941348

IUPAC(3,4-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine
SMILESCc1ccc(C(N)C2CN(C)CCN2)cc1C
InChIInChI=1S/C14H23N3/c1-10-4-5-12(8-11(10)2)14(15)13-9-17(3)7-6-16-13/h4-5,8,13-14,16H,6-7,9,15H2,1-3H3
InChIKeySBYMLRAJDKBNQV-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.21
Rot. Bonds2

About (3,4-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine

(3,4-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine (PubChem CID 116941348) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine
PubChem CID116941348
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name(3,4-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine
SMILESCc1ccc(C(N)C2CN(C)CCN2)cc1C
InChIInChI=1S/C14H23N3/c1-10-4-5-12(8-11(10)2)14(15)13-9-17(3)7-6-16-13/h4-5,8,13-14,16H,6-7,9,15H2,1-3H3
InChIKeySBYMLRAJDKBNQV-UHFFFAOYSA-N
XLogP1.21
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylphenyl)-(4-methylpiperazin-2-yl)methanamine
CID 116941344
(6-methylnaphthalen-2-yl)-(4-methylpiperazin-2-yl)methanamine
CID 116941438
(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-2-yl)methanamine
CID 116941411
(2,5-difluorophenyl)-(4-methylpiperazin-2-yl)methanamine
CID 116941381
(4-methoxy-2,3-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine
CID 116941397
1-(3,4-dimethylphenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine
CID 116956897
1-(4-methylpiperazin-2-yl)ethanamine
CID 116941341
N-methyl-1-(4-methylpiperazin-2-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 116956720
1-[1-(3,4-dimethylphenyl)ethyl]-3-methylpiperazine
CID 65418520
(3,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935490
1-(4-bromophenyl)-N-methyl-1-(4-methylpiperazin-2-yl)methanamine
CID 116956697
(4-fluoro-3-methylphenyl)-piperidin-2-ylmethanamine
CID 116935640

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine?
The IUPAC name of (3,4-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine (CID 116941348) is (3,4-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine.
What is the SMILES notation for (3,4-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine?
The canonical SMILES for (3,4-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine is Cc1ccc(C(N)C2CN(C)CCN2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine?
The InChIKey is SBYMLRAJDKBNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-10-4-5-12(8-11(10)2)14(15)13-9-17(3)7-6-16-13/h4-5,8,13-14,16H,6-7,9,15H2,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine?
(3,4-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine has a molecular weight of 233.36 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine is sourced from PubChem (CID 116941348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).