N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-2-amine

C17H28ClN3 — CID 114851241

IUPACN-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC1CN(c2ccc(Cl)cc2CNC(C)(C)C)CCN1C
InChIInChI=1S/C17H28ClN3/c1-13-12-21(9-8-20(13)5)16-7-6-15(18)10-14(16)11-19-17(2,3)4/h6-7,10,13,19H,8-9,11-12H2,1-5H3
InChIKeyAJZFLCPKXCGDFJ-UHFFFAOYSA-N
MW309.89 g/mol
LogP3.37
Rot. Bonds3

About N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-2-amine

N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 114851241) has the molecular formula C17H28ClN3 and a molecular weight of 309.89 g/mol. Its IUPAC name is N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID114851241
Molecular FormulaC17H28ClN3
Molecular Weight309.89 g/mol
Exact Mass309.20
IUPAC NameN-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC1CN(c2ccc(Cl)cc2CNC(C)(C)C)CCN1C
InChIInChI=1S/C17H28ClN3/c1-13-12-21(9-8-20(13)5)16-7-6-15(18)10-14(16)11-19-17(2,3)4/h6-7,10,13,19H,8-9,11-12H2,1-5H3
InChIKeyAJZFLCPKXCGDFJ-UHFFFAOYSA-N
XLogP3.37
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.89
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114847339
N-[[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81247301
N-[[5-chloro-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 103535772
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chlorophenyl]methyl]-2-methylpropan-2-amine
CID 114852910
N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114926447
[1-[2-[(tert-butylamino)methyl]-4-chlorophenyl]piperidin-4-yl]methanol
CID 114847855
4-[2-(bromomethyl)-5-chlorophenyl]-1,2-dimethylpiperazine
CID 107083518
5-chloro-2-(3,4-dimethylpiperazin-1-yl)benzonitrile
CID 63620950
N-[[4-chloro-2-(3,4-dimethylpiperazin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 114851246
N-[[4-(3,4-dimethylpiperazin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 63621956
1-[2-[(tert-butylamino)methyl]-5-chlorophenyl]pyrrolidine-3,4-diol
CID 106670521
1-[2-[(tert-butylamino)methyl]-5-chlorophenyl]-N,N-dimethylpyrrolidin-3-amine
CID 114851035

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-2-amine (CID 114851241) is N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-2-amine is CC1CN(c2ccc(Cl)cc2CNC(C)(C)C)CCN1C.
What is the InChIKey of N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is AJZFLCPKXCGDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3/c1-13-12-21(9-8-20(13)5)16-7-6-15(18)10-14(16)11-19-17(2,3)4/h6-7,10,13,19H,8-9,11-12H2,1-5H3.
What are the key properties of N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 309.89 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114851241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).