2-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-ethyl-4-methylpiperazin-1-yl)ethanamine

C18H30ClN3O — CID 83979881

IUPAC2-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-ethyl-4-methylpiperazin-1-yl)ethanamine
SMILESCCC1CN(C)CCN1C(CN)c1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C18H30ClN3O/c1-5-15-12-21(4)8-9-22(15)17(11-20)14-6-7-18(16(19)10-14)23-13(2)3/h6-7,10,13,15,17H,5,8-9,11-12,20H2,1-4H3
InChIKeyQYIKMKGAHIIUGQ-UHFFFAOYSA-N
MW339.91 g/mol
LogP3.15
Rot. Bonds6

About 2-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-ethyl-4-methylpiperazin-1-yl)ethanamine

2-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-ethyl-4-methylpiperazin-1-yl)ethanamine (PubChem CID 83979881) has the molecular formula C18H30ClN3O and a molecular weight of 339.91 g/mol. Its IUPAC name is 2-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-ethyl-4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-ethyl-4-methylpiperazin-1-yl)ethanamine
PubChem CID83979881
Molecular FormulaC18H30ClN3O
Molecular Weight339.91 g/mol
Exact Mass339.21
IUPAC Name2-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-ethyl-4-methylpiperazin-1-yl)ethanamine
SMILESCCC1CN(C)CCN1C(CN)c1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C18H30ClN3O/c1-5-15-12-21(4)8-9-22(15)17(11-20)14-6-7-18(16(19)10-14)23-13(2)3/h6-7,10,13,15,17H,5,8-9,11-12,20H2,1-4H3
InChIKeyQYIKMKGAHIIUGQ-UHFFFAOYSA-N
XLogP3.15
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.91
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine
CID 65021919
2-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 65021681
2-(3-chloro-4-ethoxyphenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)ethanamine
CID 83979851
2-(3,4-dichlorophenyl)-2-(2-ethyl-4-methylpiperazin-1-yl)acetonitrile
CID 112539707
2-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine
CID 83979744
2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-yloxyphenyl)ethanamine
CID 60916800
[1-[1-(3-chloro-4-fluorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80505448
[1-[1-(2,5-dichlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80504678
2-(2,4-dimethylpiperazin-1-yl)-2-(3-ethoxy-4-propoxyphenyl)ethanamine
CID 83979135
2-(2,4-dimethylpiperazin-1-yl)-2-(4-methoxy-3-propoxyphenyl)ethanamine
CID 83979522
4-(3-chloro-4-propan-2-yloxyphenyl)pentan-1-amine
CID 112512686
2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 43266345

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-ethyl-4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-ethyl-4-methylpiperazin-1-yl)ethanamine (CID 83979881) is 2-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-ethyl-4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-ethyl-4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-ethyl-4-methylpiperazin-1-yl)ethanamine is CCC1CN(C)CCN1C(CN)c1ccc(OC(C)C)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-ethyl-4-methylpiperazin-1-yl)ethanamine?
The InChIKey is QYIKMKGAHIIUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClN3O/c1-5-15-12-21(4)8-9-22(15)17(11-20)14-6-7-18(16(19)10-14)23-13(2)3/h6-7,10,13,15,17H,5,8-9,11-12,20H2,1-4H3.
What are the key properties of 2-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-ethyl-4-methylpiperazin-1-yl)ethanamine?
2-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-ethyl-4-methylpiperazin-1-yl)ethanamine has a molecular weight of 339.91 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-ethyl-4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 83979881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).