2-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine

C14H22ClN3O — CID 65021681

IUPAC2-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCOc1ccc(C(CN)N2CCN(C)CC2)cc1Cl
InChIInChI=1S/C14H22ClN3O/c1-17-5-7-18(8-6-17)13(10-16)11-3-4-14(19-2)12(15)9-11/h3-4,9,13H,5-8,10,16H2,1-2H3
InChIKeyVXADCMBGQXGRED-UHFFFAOYSA-N
MW283.80 g/mol
LogP1.60
Rot. Bonds4

About 2-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine

2-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine (PubChem CID 65021681) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
PubChem CID65021681
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCOc1ccc(C(CN)N2CCN(C)CC2)cc1Cl
InChIInChI=1S/C14H22ClN3O/c1-17-5-7-18(8-6-17)13(10-16)11-3-4-14(19-2)12(15)9-11/h3-4,9,13H,5-8,10,16H2,1-2H3
InChIKeyVXADCMBGQXGRED-UHFFFAOYSA-N
XLogP1.60
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 65021916
2-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 65021633
2-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 83979728
2-(3,4-dichlorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 43105682
2-(2-methoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 82303447
(2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 9161144
2-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
CID 116860097
2-(3,4-dimethoxyphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
CID 43581296
2-(3-chloro-4-methoxyphenyl)propan-1-amine
CID 14579475
4-[2-amino-1-(4-methylpiperazin-1-yl)ethyl]-2-bromo-6-methoxyphenol
CID 16789340
2-(3-chloro-4-methoxyphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine
CID 65021919
2-(3-chloro-4-methylphenyl)-2-piperidin-1-ylethanamine
CID 106817233

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine (CID 65021681) is 2-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine is COc1ccc(C(CN)N2CCN(C)CC2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine?
The InChIKey is VXADCMBGQXGRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-17-5-7-18(8-6-17)13(10-16)11-3-4-14(19-2)12(15)9-11/h3-4,9,13H,5-8,10,16H2,1-2H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine?
2-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine has a molecular weight of 283.80 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 65021681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).