2-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine

C18H31N3O2 — CID 83979728

IUPAC2-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCOc1cc(C(CN)N2CCN(C)CC2)ccc1OCC(C)C
InChIInChI=1S/C18H31N3O2/c1-14(2)13-23-17-6-5-15(11-18(17)22-4)16(12-19)21-9-7-20(3)8-10-21/h5-6,11,14,16H,7-10,12-13,19H2,1-4H3
InChIKeyRNPKSFGMWWVRTP-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.98
Rot. Bonds7

About 2-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine

2-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine (PubChem CID 83979728) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 2-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine
PubChem CID83979728
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name2-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCOc1cc(C(CN)N2CCN(C)CC2)ccc1OCC(C)C
InChIInChI=1S/C18H31N3O2/c1-14(2)13-23-17-6-5-15(11-18(17)22-4)16(12-19)21-9-7-20(3)8-10-21/h5-6,11,14,16H,7-10,12-13,19H2,1-4H3
InChIKeyRNPKSFGMWWVRTP-UHFFFAOYSA-N
XLogP1.98
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 65021681
(2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 9161144
2-(3,4-dimethoxyphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
CID 43581296
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
CID 16788840
2-(2-methoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 82303447
4-[2-amino-1-(4-methylpiperazin-1-yl)ethyl]-2-bromo-6-methoxyphenol
CID 16789340
2-[4-(2-methylpropoxy)phenyl]-2-pyrrolidin-1-ylethanamine
CID 112512800
2-(2-ethyl-4-methylpiperazin-1-yl)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]acetonitrile
CID 112540269
4-[2-amino-1-(4-propylpiperazin-1-yl)ethyl]-2-methoxyphenol
CID 16789817
2-(3,4-diethylpiperazin-1-yl)-2-(4-ethoxy-3-methoxyphenyl)ethanamine
CID 83979259
2-(4-ethylpiperazin-1-yl)-2-[4-(2-methylpropoxy)phenyl]ethanamine
CID 83979698
2-(3-chloro-4-methoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 65021916

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine (CID 83979728) is 2-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine is COc1cc(C(CN)N2CCN(C)CC2)ccc1OCC(C)C.
What is the InChIKey of 2-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine?
The InChIKey is RNPKSFGMWWVRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-14(2)13-23-17-6-5-15(11-18(17)22-4)16(12-19)21-9-7-20(3)8-10-21/h5-6,11,14,16H,7-10,12-13,19H2,1-4H3.
What are the key properties of 2-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine?
2-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine has a molecular weight of 321.47 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 83979728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).