4-[4-(4-amino-2-ethoxyphenyl)piperazin-1-yl]-3-methylaniline

C19H26N4O — CID 118013476

IUPAC4-[4-(4-amino-2-ethoxyphenyl)piperazin-1-yl]-3-methylaniline
SMILESCCOc1cc(N)ccc1N1CCN(c2ccc(N)cc2C)CC1
InChIInChI=1S/C19H26N4O/c1-3-24-19-13-16(21)5-7-18(19)23-10-8-22(9-11-23)17-6-4-15(20)12-14(17)2/h4-7,12-13H,3,8-11,20-21H2,1-2H3
InChIKeyGTAORIXOEPTDMY-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.88
Rot. Bonds4

About 4-[4-(4-amino-2-ethoxyphenyl)piperazin-1-yl]-3-methylaniline

4-[4-(4-amino-2-ethoxyphenyl)piperazin-1-yl]-3-methylaniline (PubChem CID 118013476) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-[4-(4-amino-2-ethoxyphenyl)piperazin-1-yl]-3-methylaniline.

Molecular Properties

Compound Name4-[4-(4-amino-2-ethoxyphenyl)piperazin-1-yl]-3-methylaniline
PubChem CID118013476
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name4-[4-(4-amino-2-ethoxyphenyl)piperazin-1-yl]-3-methylaniline
SMILESCCOc1cc(N)ccc1N1CCN(c2ccc(N)cc2C)CC1
InChIInChI=1S/C19H26N4O/c1-3-24-19-13-16(21)5-7-18(19)23-10-8-22(9-11-23)17-6-4-15(20)12-14(17)2/h4-7,12-13H,3,8-11,20-21H2,1-2H3
InChIKeyGTAORIXOEPTDMY-UHFFFAOYSA-N
XLogP2.88
TPSA67.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2-ethoxyethyl)piperazin-1-yl]-3-methylaniline
CID 67171188
3-methyl-4-morpholin-4-ylaniline
CID 10607787
ethane;3-methyl-4-(4-methylpiperazin-1-yl)aniline
CID 170593153
3-butoxy-4-pyrrolidin-1-ylaniline
CID 165357451
4-[4-(2-methoxyethyl)piperazin-1-yl]-3-methylaniline
CID 66617388
4-(4-cyclopropylpiperazin-1-yl)-3-methylaniline
CID 61440602
3-methyl-4-(4-propylpiperidin-1-yl)aniline
CID 62200933
4-(3-ethylpiperidin-1-yl)-3-methylaniline
CID 43584157
3-(2-cyclopentylethoxy)-4-(4-methylpiperazin-1-yl)aniline
CID 171547112
4-(8-azaspiro[4.5]decan-8-yl)-3-methylaniline
CID 63160515
3-propoxy-4-[4-(trifluoromethyl)piperidin-1-yl]aniline
CID 163517263
4-amino-2-ethoxyphenol
CID 12856010

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-amino-2-ethoxyphenyl)piperazin-1-yl]-3-methylaniline?
The IUPAC name of 4-[4-(4-amino-2-ethoxyphenyl)piperazin-1-yl]-3-methylaniline (CID 118013476) is 4-[4-(4-amino-2-ethoxyphenyl)piperazin-1-yl]-3-methylaniline.
What is the SMILES notation for 4-[4-(4-amino-2-ethoxyphenyl)piperazin-1-yl]-3-methylaniline?
The canonical SMILES for 4-[4-(4-amino-2-ethoxyphenyl)piperazin-1-yl]-3-methylaniline is CCOc1cc(N)ccc1N1CCN(c2ccc(N)cc2C)CC1.
What is the InChIKey of 4-[4-(4-amino-2-ethoxyphenyl)piperazin-1-yl]-3-methylaniline?
The InChIKey is GTAORIXOEPTDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-3-24-19-13-16(21)5-7-18(19)23-10-8-22(9-11-23)17-6-4-15(20)12-14(17)2/h4-7,12-13H,3,8-11,20-21H2,1-2H3.
What are the key properties of 4-[4-(4-amino-2-ethoxyphenyl)piperazin-1-yl]-3-methylaniline?
4-[4-(4-amino-2-ethoxyphenyl)piperazin-1-yl]-3-methylaniline has a molecular weight of 326.44 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-amino-2-ethoxyphenyl)piperazin-1-yl]-3-methylaniline is sourced from PubChem (CID 118013476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).