3-(3-ethoxyphenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine

C17H29N3O — CID 84752180

IUPAC3-(3-ethoxyphenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCCOc1cccc(CC(C)(CN)N2CCN(C)CC2)c1
InChIInChI=1S/C17H29N3O/c1-4-21-16-7-5-6-15(12-16)13-17(2,14-18)20-10-8-19(3)9-11-20/h5-7,12H,4,8-11,13-14,18H2,1-3H3
InChIKeyHRFACNAMYVXYER-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.59
Rot. Bonds6

About 3-(3-ethoxyphenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine

3-(3-ethoxyphenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine (PubChem CID 84752180) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
PubChem CID84752180
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name3-(3-ethoxyphenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCCOc1cccc(CC(C)(CN)N2CCN(C)CC2)c1
InChIInChI=1S/C17H29N3O/c1-4-21-16-7-5-6-15(12-16)13-17(2,14-18)20-10-8-19(3)9-11-20/h5-7,12H,4,8-11,13-14,18H2,1-3H3
InChIKeyHRFACNAMYVXYER-UHFFFAOYSA-N
XLogP1.59
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxyphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 84746685
3-(4-ethoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 84752230
3-(3-ethoxyphenyl)-2-methyl-2-morpholin-4-ylpropanenitrile
CID 82093664
1-methyl-4-[(3-propoxyphenyl)methyl]piperazine
CID 70470634
N-[(3-ethoxyphenyl)methyl]-1-methylazepan-4-amine
CID 65070534
N-[(3-ethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 60873726
2-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-amine
CID 55150857
2-[4-(3-ethoxyphenyl)-1-methylpiperidin-4-yl]propan-2-ol
CID 13363439
3-amino-N-[(3-ethoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 81489935
(3-ethoxyphenyl)methanethiol
CID 79885244
[3-[3-(4-methyl-1,4-diazepan-1-yl)propoxy]phenyl]methanamine
CID 43253676
2-(3-methoxypyrrolidin-1-yl)-2-methyl-3-phenylpropan-1-amine
CID 103531552

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 3-(3-ethoxyphenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine (CID 84752180) is 3-(3-ethoxyphenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(3-ethoxyphenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 3-(3-ethoxyphenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine is CCOc1cccc(CC(C)(CN)N2CCN(C)CC2)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine?
The InChIKey is HRFACNAMYVXYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-21-16-7-5-6-15(12-16)13-17(2,14-18)20-10-8-19(3)9-11-20/h5-7,12H,4,8-11,13-14,18H2,1-3H3.
What are the key properties of 3-(3-ethoxyphenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine?
3-(3-ethoxyphenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 84752180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).