2-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-phenylethanamine

C16H27N3O — CID 103464013

IUPAC2-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-phenylethanamine
SMILESCOCC(NCCN1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C16H27N3O/c1-18-10-12-19(13-11-18)9-8-17-16(14-20-2)15-6-4-3-5-7-15/h3-7,16-17H,8-14H2,1-2H3
InChIKeyMYVGAPBDCKCIKY-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.21
Rot. Bonds7

About 2-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-phenylethanamine

2-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-phenylethanamine (PubChem CID 103464013) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-phenylethanamine.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-phenylethanamine
PubChem CID103464013
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-phenylethanamine
SMILESCOCC(NCCN1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C16H27N3O/c1-18-10-12-19(13-11-18)9-8-17-16(14-20-2)15-6-4-3-5-7-15/h3-7,16-17H,8-14H2,1-2H3
InChIKeyMYVGAPBDCKCIKY-UHFFFAOYSA-N
XLogP1.21
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 103913589
2-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-1-phenylethanamine
CID 103464163
3-[(2-methoxy-1-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 103463484
1-(4-ethylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 60923581
6-[(2-methoxy-1-phenylethyl)amino]hexan-1-ol
CID 103913633
N-(2-ethylsulfonylethyl)-2-methoxy-1-phenylethanamine
CID 107234098
2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
CID 103464752
1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 60924589
5-[(2-methoxy-1-phenylethyl)amino]pentan-2-ol
CID 106121310
3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine
CID 103464688
4-[(2-methoxy-1-phenylethyl)amino]butanoic acid
CID 103913559
2-[2-(4-methylpiperazin-1-yl)ethylamino]-1-phenylethanol
CID 115279452

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-phenylethanamine?
The IUPAC name of 2-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-phenylethanamine (CID 103464013) is 2-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-phenylethanamine.
What is the SMILES notation for 2-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-phenylethanamine?
The canonical SMILES for 2-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-phenylethanamine is COCC(NCCN1CCN(C)CC1)c1ccccc1.
What is the InChIKey of 2-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-phenylethanamine?
The InChIKey is MYVGAPBDCKCIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-18-10-12-19(13-11-18)9-8-17-16(14-20-2)15-6-4-3-5-7-15/h3-7,16-17H,8-14H2,1-2H3.
What are the key properties of 2-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-phenylethanamine?
2-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-phenylethanamine has a molecular weight of 277.41 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-phenylethanamine is sourced from PubChem (CID 103464013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).