2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine

C17H29N3 — CID 62776010

IUPAC2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
SMILESCc1ccc(C(CN)N2CCN(CC(C)C)CC2)cc1
InChIInChI=1S/C17H29N3/c1-14(2)13-19-8-10-20(11-9-19)17(12-18)16-6-4-15(3)5-7-16/h4-7,14,17H,8-13,18H2,1-3H3
InChIKeyCJFBICMIRMUSJK-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.27
Rot. Bonds5

About 2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine

2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine (PubChem CID 62776010) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
PubChem CID62776010
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
SMILESCc1ccc(C(CN)N2CCN(CC(C)C)CC2)cc1
InChIInChI=1S/C17H29N3/c1-14(2)13-19-8-10-20(11-9-19)17(12-18)16-6-4-15(3)5-7-16/h4-7,14,17H,8-13,18H2,1-3H3
InChIKeyCJFBICMIRMUSJK-UHFFFAOYSA-N
XLogP2.27
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
CID 112539542
(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine
CID 9079311
2-(4-methylphenyl)-2-piperazin-1-ylethanamine
CID 82079666
1-[2-amino-1-(4-methylphenyl)ethyl]piperidin-4-ol
CID 55016646
1-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62778017
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanamine
CID 16642714
2-(4-ethylpiperazin-1-yl)-2-[4-(2-methylpropoxy)phenyl]ethanamine
CID 83979698
2-(2,3-dichlorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 62778142
1-[2-amino-1-(4-methylphenyl)ethyl]-3-methylpyrrolidin-3-ol
CID 103355396
1-[2-amino-1-(4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166318
3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-amine
CID 82023207
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(4-methylphenyl)ethanamine
CID 79175124

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine (CID 62776010) is 2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine is Cc1ccc(C(CN)N2CCN(CC(C)C)CC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine?
The InChIKey is CJFBICMIRMUSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-14(2)13-19-8-10-20(11-9-19)17(12-18)16-6-4-15(3)5-7-16/h4-7,14,17H,8-13,18H2,1-3H3.
What are the key properties of 2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine?
2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine has a molecular weight of 275.44 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 62776010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).