1-(4-ethylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine

C18H31N3 — CID 60923581

IUPAC1-(4-ethylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
SMILESCCc1ccc(C(CC)NCCN2CCN(C)CC2)cc1
InChIInChI=1S/C18H31N3/c1-4-16-6-8-17(9-7-16)18(5-2)19-10-11-21-14-12-20(3)13-15-21/h6-9,18-19H,4-5,10-15H2,1-3H3
InChIKeyVHVIOHVHJDPPHZ-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.54
Rot. Bonds7

About 1-(4-ethylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine

1-(4-ethylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine (PubChem CID 60923581) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
PubChem CID60923581
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-(4-ethylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
SMILESCCc1ccc(C(CC)NCCN2CCN(C)CC2)cc1
InChIInChI=1S/C18H31N3/c1-4-16-6-8-17(9-7-16)18(5-2)19-10-11-21-14-12-20(3)13-15-21/h6-9,18-19H,4-5,10-15H2,1-3H3
InChIKeyVHVIOHVHJDPPHZ-UHFFFAOYSA-N
XLogP2.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 60924589
N-[2-(azepan-1-yl)ethyl]-1-(4-ethylphenyl)ethanamine
CID 61239798
1-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)propan-1-amine
CID 43195499
1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propan-1-amine
CID 43195497
1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine
CID 54932076
2-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-phenylethanamine
CID 103464013
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43768025
N-[2-(azepan-1-yl)-1-(4-ethylphenyl)ethyl]propan-1-amine
CID 63466733
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
3-[1-(4-ethylphenyl)propylamino]propanoic acid
CID 43310130
N-[1-(4-ethylphenyl)propyl]-3-methylsulfinylbutan-1-amine
CID 115894514
N-[1-(4-ethylphenyl)propyl]morpholin-4-amine
CID 83011892

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine (CID 60923581) is 1-(4-ethylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine is CCc1ccc(C(CC)NCCN2CCN(C)CC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine?
The InChIKey is VHVIOHVHJDPPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-4-16-6-8-17(9-7-16)18(5-2)19-10-11-21-14-12-20(3)13-15-21/h6-9,18-19H,4-5,10-15H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine?
1-(4-ethylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 60923581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).