2-(4-chlorophenyl)-2-pyrrolidin-1-ylethanamine;oxalic acid

C14H19ClN2O4 — CID 45075211

IUPAC2-(4-chlorophenyl)-2-pyrrolidin-1-ylethanamine;oxalic acid
SMILESNCC(c1ccc(Cl)cc1)N1CCCC1.O=C(O)C(=O)O
InChIInChI=1S/C12H17ClN2.C2H2O4/c13-11-5-3-10(4-6-11)12(9-14)15-7-1-2-8-15;3-1(4)2(5)6/h3-6,12H,1-2,7-9,14H2;(H,3,4)(H,5,6)
InChIKeyWOWFWJZCMDEOEX-UHFFFAOYSA-N
MW314.77 g/mol
LogP1.59
Rot. Bonds3

About 2-(4-chlorophenyl)-2-pyrrolidin-1-ylethanamine;oxalic acid

2-(4-chlorophenyl)-2-pyrrolidin-1-ylethanamine;oxalic acid (PubChem CID 45075211) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-pyrrolidin-1-ylethanamine;oxalic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-pyrrolidin-1-ylethanamine;oxalic acid
PubChem CID45075211
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Name2-(4-chlorophenyl)-2-pyrrolidin-1-ylethanamine;oxalic acid
SMILESNCC(c1ccc(Cl)cc1)N1CCCC1.O=C(O)C(=O)O
InChIInChI=1S/C12H17ClN2.C2H2O4/c13-11-5-3-10(4-6-11)12(9-14)15-7-1-2-8-15;3-1(4)2(5)6/h3-6,12H,1-2,7-9,14H2;(H,3,4)(H,5,6)
InChIKeyWOWFWJZCMDEOEX-UHFFFAOYSA-N
XLogP1.59
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-(azepan-1-yl)-3-(4-chlorophenyl)propanoic acid
CID 64528301
(3S)-1-[(1S)-2-amino-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 51698188
2-(azepan-1-yl)-2-(2-chlorophenyl)ethanamine;oxalic acid
CID 45075213
1-[2-amino-1-(4-chlorophenyl)ethyl]-4-methylazepan-4-ol
CID 107403850
[1-[2-amino-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methanol
CID 55014997
4-(2-amino-1-piperidin-1-ylethyl)phenol
CID 16796139
(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine
CID 9079311
(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine
CID 97182150
2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine
CID 6484142
2-(azepan-1-yl)-2-(3,5-dichlorophenyl)ethanamine
CID 60788814
(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethanamine
CID 97182151
2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 114842786

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-pyrrolidin-1-ylethanamine;oxalic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-pyrrolidin-1-ylethanamine;oxalic acid (CID 45075211) is 2-(4-chlorophenyl)-2-pyrrolidin-1-ylethanamine;oxalic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-pyrrolidin-1-ylethanamine;oxalic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-pyrrolidin-1-ylethanamine;oxalic acid is NCC(c1ccc(Cl)cc1)N1CCCC1.O=C(O)C(=O)O.
What is the InChIKey of 2-(4-chlorophenyl)-2-pyrrolidin-1-ylethanamine;oxalic acid?
The InChIKey is WOWFWJZCMDEOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2.C2H2O4/c13-11-5-3-10(4-6-11)12(9-14)15-7-1-2-8-15;3-1(4)2(5)6/h3-6,12H,1-2,7-9,14H2;(H,3,4)(H,5,6).
What are the key properties of 2-(4-chlorophenyl)-2-pyrrolidin-1-ylethanamine;oxalic acid?
2-(4-chlorophenyl)-2-pyrrolidin-1-ylethanamine;oxalic acid has a molecular weight of 314.77 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-pyrrolidin-1-ylethanamine;oxalic acid is sourced from PubChem (CID 45075211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).