(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanamine

C19H24ClN3O — CID 9161262

IUPAC(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1[C@@H](CN)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H24ClN3O/c1-24-19-8-3-2-7-17(19)18(14-21)23-11-9-22(10-12-23)16-6-4-5-15(20)13-16/h2-8,13,18H,9-12,14,21H2,1H3/t18-/m1/s1
InChIKeyVQBACUCSRATCEB-GOSISDBHSA-N
MW345.87 g/mol
LogP3.17
Rot. Bonds5

About (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanamine

(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanamine (PubChem CID 9161262) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanamine
PubChem CID9161262
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1[C@@H](CN)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H24ClN3O/c1-24-19-8-3-2-7-17(19)18(14-21)23-11-9-22(10-12-23)16-6-4-5-15(20)13-16/h2-8,13,18H,9-12,14,21H2,1H3/t18-/m1/s1
InChIKeyVQBACUCSRATCEB-GOSISDBHSA-N
XLogP3.17
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanamine
CID 9161266
(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylethanamine
CID 9161222
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine
CID 9161313
2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine
CID 43100105
1-(3-chloro-4-methoxyphenyl)-4-(3-chlorophenyl)piperazine
CID 110452715
1-(3-chlorophenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171668302
2-(4-ethylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanamine
CID 61420799
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(2,6-dimethoxyphenoxy)propan-2-ol
CID 1325664
(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)propan-1-one
CID 40696539
(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanamine
CID 30118002
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpropan-1-amine
CID 55069987
1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 44890915

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanamine?
The IUPAC name of (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanamine (CID 9161262) is (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanamine?
The canonical SMILES for (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanamine is COc1ccccc1[C@@H](CN)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanamine?
The InChIKey is VQBACUCSRATCEB-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-24-19-8-3-2-7-17(19)18(14-21)23-11-9-22(10-12-23)16-6-4-5-15(20)13-16/h2-8,13,18H,9-12,14,21H2,1H3/t18-/m1/s1.
What are the key properties of (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanamine?
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanamine has a molecular weight of 345.87 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 9161262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).