2-(3,5-dichlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine

C14H21Cl2N3 — CID 63605245

IUPAC2-(3,5-dichlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
SMILESCC1CN(C(CN)c2cc(Cl)cc(Cl)c2)CCN1C
InChIInChI=1S/C14H21Cl2N3/c1-10-9-19(4-3-18(10)2)14(8-17)11-5-12(15)7-13(16)6-11/h5-7,10,14H,3-4,8-9,17H2,1-2H3
InChIKeyOHIRZSWXNFSFOW-UHFFFAOYSA-N
MW302.25 g/mol
LogP2.63
Rot. Bonds3

About 2-(3,5-dichlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine

2-(3,5-dichlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine (PubChem CID 63605245) has the molecular formula C14H21Cl2N3 and a molecular weight of 302.25 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
PubChem CID63605245
Molecular FormulaC14H21Cl2N3
Molecular Weight302.25 g/mol
Exact Mass301.11
IUPAC Name2-(3,5-dichlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
SMILESCC1CN(C(CN)c2cc(Cl)cc(Cl)c2)CCN1C
InChIInChI=1S/C14H21Cl2N3/c1-10-9-19(4-3-18(10)2)14(8-17)11-5-12(15)7-13(16)6-11/h5-7,10,14H,3-4,8-9,17H2,1-2H3
InChIKeyOHIRZSWXNFSFOW-UHFFFAOYSA-N
XLogP2.63
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 114453410
2-(4-chlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 63605366
(2S)-2-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552547
2-(4-chloro-3-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 63605224
2-(3,4-dimethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanamine
CID 63605581
(2S)-2-(3,5-dichlorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 124552555
2-(3,4-dimethylpiperazin-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65096479
2-(3,4-dimethylpiperazin-1-yl)-2-(3-ethoxyphenyl)ethanamine
CID 63605407
2-(azepan-1-yl)-2-(3,5-dichlorophenyl)ethanamine
CID 60788814
2-(3-chlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 63603993
1-[2-amino-1-(3,5-dichlorophenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81465043
2-(4-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537191

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(3,5-dichlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine (CID 63605245) is 2-(3,5-dichlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(3,5-dichlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine is CC1CN(C(CN)c2cc(Cl)cc(Cl)c2)CCN1C.
What is the InChIKey of 2-(3,5-dichlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine?
The InChIKey is OHIRZSWXNFSFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3/c1-10-9-19(4-3-18(10)2)14(8-17)11-5-12(15)7-13(16)6-11/h5-7,10,14H,3-4,8-9,17H2,1-2H3.
What are the key properties of 2-(3,5-dichlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine?
2-(3,5-dichlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine has a molecular weight of 302.25 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 63605245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).