2-(3,5-dichloro-4-methoxyphenyl)-2-(4-propylpiperazin-1-yl)ethanamine

C16H25Cl2N3O — CID 112540388

IUPAC2-(3,5-dichloro-4-methoxyphenyl)-2-(4-propylpiperazin-1-yl)ethanamine
SMILESCCCN1CCN(C(CN)c2cc(Cl)c(OC)c(Cl)c2)CC1
InChIInChI=1S/C16H25Cl2N3O/c1-3-4-20-5-7-21(8-6-20)15(11-19)12-9-13(17)16(22-2)14(18)10-12/h9-10,15H,3-8,11,19H2,1-2H3
InChIKeyIIROSTWNMJYRLQ-UHFFFAOYSA-N
MW346.30 g/mol
LogP3.03
Rot. Bonds6

About 2-(3,5-dichloro-4-methoxyphenyl)-2-(4-propylpiperazin-1-yl)ethanamine

2-(3,5-dichloro-4-methoxyphenyl)-2-(4-propylpiperazin-1-yl)ethanamine (PubChem CID 112540388) has the molecular formula C16H25Cl2N3O and a molecular weight of 346.30 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-methoxyphenyl)-2-(4-propylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dichloro-4-methoxyphenyl)-2-(4-propylpiperazin-1-yl)ethanamine
PubChem CID112540388
Molecular FormulaC16H25Cl2N3O
Molecular Weight346.30 g/mol
Exact Mass345.14
IUPAC Name2-(3,5-dichloro-4-methoxyphenyl)-2-(4-propylpiperazin-1-yl)ethanamine
SMILESCCCN1CCN(C(CN)c2cc(Cl)c(OC)c(Cl)c2)CC1
InChIInChI=1S/C16H25Cl2N3O/c1-3-4-20-5-7-21(8-6-20)15(11-19)12-9-13(17)16(22-2)14(18)10-12/h9-10,15H,3-8,11,19H2,1-2H3
InChIKeyIIROSTWNMJYRLQ-UHFFFAOYSA-N
XLogP3.03
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-amino-1-(4-propylpiperazin-1-yl)ethyl]-2-methoxyphenol
CID 16789817
2-(3-chloro-4-methoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 65021916
2-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 65021681
4-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-2-chlorophenol
CID 83979614
2-(4-bromo-2-fluorophenyl)-2-(4-propylpiperazin-1-yl)ethanamine
CID 43364603
2-(3-bromo-4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 83231104
2-(4-ethylpiperazin-1-yl)-2-(3-methoxyphenyl)ethanamine
CID 16782572
1-(3,5-dichloro-4-methoxyphenyl)butan-1-amine
CID 82550774
2-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 65021633
2-(2-ethylphenyl)-2-(4-propylpiperazin-1-yl)ethanamine
CID 62392807
2-(4-methylpiperidin-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanamine
CID 16642919
2-methyl-3-(4-propylpiperazin-1-yl)butan-1-amine
CID 79414609

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-methoxyphenyl)-2-(4-propylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(3,5-dichloro-4-methoxyphenyl)-2-(4-propylpiperazin-1-yl)ethanamine (CID 112540388) is 2-(3,5-dichloro-4-methoxyphenyl)-2-(4-propylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(3,5-dichloro-4-methoxyphenyl)-2-(4-propylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(3,5-dichloro-4-methoxyphenyl)-2-(4-propylpiperazin-1-yl)ethanamine is CCCN1CCN(C(CN)c2cc(Cl)c(OC)c(Cl)c2)CC1.
What is the InChIKey of 2-(3,5-dichloro-4-methoxyphenyl)-2-(4-propylpiperazin-1-yl)ethanamine?
The InChIKey is IIROSTWNMJYRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2N3O/c1-3-4-20-5-7-21(8-6-20)15(11-19)12-9-13(17)16(22-2)14(18)10-12/h9-10,15H,3-8,11,19H2,1-2H3.
What are the key properties of 2-(3,5-dichloro-4-methoxyphenyl)-2-(4-propylpiperazin-1-yl)ethanamine?
2-(3,5-dichloro-4-methoxyphenyl)-2-(4-propylpiperazin-1-yl)ethanamine has a molecular weight of 346.30 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-methoxyphenyl)-2-(4-propylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 112540388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).